CID 726179

111184-75-9

Structural Information

Molecular Formula

C₁₄H₁₂N₄O

SMILES

C1=CC=C(C=C1)C(=O)NCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H12N4O/c19-14(11-6-2-1-3-7-11)15-10-18-13-9-5-4-8-12(13)16-17-18/h1-9H,10H2,(H,15,19)

InChIKey

CDZWFIDNOCWJDS-UHFFFAOYSA-N

Compound name

N-(benzotriazol-1-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 252.1011 Da
Monoisotopic Mass: 2.3
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]+	253.108376	154.6
[M+Na]+	275.090318	163.6
[M-H]-	251.093824	158.8
[M+NH4]+	270.134923	169.8
[M+K]+	291.064258	158.7
[M+H-H2O]+	235.098360	144.8
[M+HCOO]-	297.099301	177.5
[M+CH3COO]-	311.114951	166.7
[M+Na-2H]-	273.075766	162.8
[M]+	252.10055142	155.9
[M]-	252.10164858	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe