CID 672245

N-(1h-benzoimidazol-2-yl)-benzene-1,2-diamine

Structural Information

Molecular Formula
C13H12N4
SMILES
C1=CC=C(C(=C1)N)NC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H12N4/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,14H2,(H2,15,16,17)
InChIKey
ZZDGNBWCSPZNRU-UHFFFAOYSA-N
Compound name
2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

32
Patents

224.1062 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11348 145.7
[M+Na]+ 247.09542 155.0
[M-H]- 223.09892 149.9
[M+NH4]+ 242.14002 162.7
[M+K]+ 263.06936 148.8
[M+H-H2O]+ 207.10346 137.4
[M+HCOO]- 269.10440 169.9
[M+CH3COO]- 283.12005 158.2
[M+Na-2H]- 245.08087 154.3
[M]+ 224.10565 143.3
[M]- 224.10675 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.