CID 97649

36120-57-7

Structural Information

Molecular Formula

C₉H₁₂N₄O

SMILES

CN(C)N=NC1=CC=CC(=C1)C(=O)N

InChI

InChI=1S/C9H12N4O/c1-13(2)12-11-8-5-3-4-7(6-8)9(10)14/h3-6H,1-2H3,(H2,10,14)

InChIKey

XKCXZUQTZBASRF-UHFFFAOYSA-N

Compound name

3-(dimethylaminodiazenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 192.1011 Da
Monoisotopic Mass: 1.3
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]+	193.10838	142.4
[M+Na]+	215.09032	151.8
[M+NH4]+	210.13492	150.0
[M+K]+	231.06426	146.7
[M-H]-	191.09382	146.7
[M+Na-2H]-	213.07577	149.4
[M]+	192.10055	144.5
[M]-	192.10165	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe