Spectrum PT101693 for (2,5-dioxoimidazolidin-4-yl)urea

Rating: (*)★(*)★(*)★(*)★(*)☆

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
Allantoin
158.12
C4H6N4O3
158.043990052
O=C(N)NC1NC(=O)NC1=O
InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
POJWUDADGALRAB-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
PT101693
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
Copyright(C) 2009 Plant Science Center, RIKEN
Q-Tof Premier, Waters
LC-Q-TOF/MS
ESI
120 C
Q
Q
LOW-ENERGY CID
30 V
TOF
Continuum
CH3CN/H2O
3.0 kV
23.0 V
[M+H]+
MS2
positive
0.5909261045124964
0.5378841203650644
159.05179
[M+H]+
1.0691611832045935 ppm
-1.7005199998720855E-4 Da