Spectrum MoNA037538 for DIPHENHYDRAMINE

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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
ZZVUWRFHKOJYTH-UHFFFAOYSA-N
C17H21NO
255.162314292
O(CCN(C)C)C(C=1C=CC=CC1)C=2C=CC=CC2
InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
C17H21NO
positive
HCD (NCE 20-30-40%)
Sonnenburg Lab MS2 Library C18 positive method
Sonnenburg_Lab_QE_MS2_Spectra.msp
0.19565375787916336
0.14113435311177946
256.1695903
[M+H]+
2.7091115661626635 ppm
-6.939919999808808E-4 Da