CID 97612

33330-89-1

Structural Information

Molecular Formula

C₉H₁₂N₄O

SMILES

CN(C)N=NC1=CC=CC=C1C(=O)N

InChI

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

InChIKey

BPIUKMIZYGZZRF-UHFFFAOYSA-N

Compound name

2-(dimethylaminodiazenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 192.1011 Da
Monoisotopic Mass: 1.7
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]+	193.108376	140.8
[M+Na]+	215.090318	147.0
[M-H]-	191.093824	148.4
[M+NH4]+	210.134923	160.8
[M+K]+	231.064258	147.8
[M+H-H2O]+	175.098360	132.9
[M+HCOO]-	237.099301	171.9
[M+CH3COO]-	251.114951	200.8
[M+Na-2H]-	213.075766	147.3
[M]+	192.10055142	141.4
[M]-	192.10164858	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe