CID 45077873

1798723-65-5

Structural Information

Molecular Formula

C₉H₁₂N₄

SMILES

CN(C)C1=NC2=C(N1)C=C(C=C2)N

InChI

InChI=1S/C9H12N4/c1-13(2)9-11-7-4-3-6(10)5-8(7)12-9/h3-5H,10H2,1-2H3,(H,11,12)

InChIKey

GDIRRUCMINBFNR-UHFFFAOYSA-N

Compound name

2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 176.1062 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]+	177.11348	135.8
[M+Na]+	199.09542	145.6
[M-H]-	175.09892	138.4
[M+NH4]+	194.14002	155.9
[M+K]+	215.06936	142.6
[M+H-H2O]+	159.10346	128.6
[M+HCOO]-	221.10440	160.4
[M+CH3COO]-	235.12005	149.5
[M+Na-2H]-	197.08087	143.0
[M]+	176.10565	135.6
[M]-	176.10675	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe