CID 71671

Benmoxin

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

CC(C1=CC=CC=C1)NNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H16N2O/c1-12(13-8-4-2-5-9-13)16-17-15(18)14-10-6-3-7-11-14/h2-12,16H,1H3,(H,17,18)

InChIKey

BEWNZPMDJIGBED-UHFFFAOYSA-N

Compound name

N'-(1-phenylethyl)benzohydrazide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 2098
Patents: 240.12627 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.13355	155.0
[M+Na]+	263.11549	159.2
[M-H]-	239.11899	161.2
[M+NH4]+	258.16009	171.2
[M+K]+	279.08943	155.9
[M+H-H2O]+	223.12353	146.9
[M+HCOO]-	285.12447	179.5
[M+CH3COO]-	299.14012	197.1
[M+Na-2H]-	261.10094	160.9
[M]+	240.12572	152.4
[M]-	240.12682	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe