CID 46281

2-(3-aminophenyl)-1h-benzimidazol-6-amine

Structural Information

Molecular Formula
C13H12N4
SMILES
C1=CC(=CC(=C1)N)C2=NC3=C(N2)C=C(C=C3)N
InChI
InChI=1S/C13H12N4/c14-9-3-1-2-8(6-9)13-16-11-5-4-10(15)7-12(11)17-13/h1-7H,14-15H2,(H,16,17)
InChIKey
QCILMAMLEHOLRX-UHFFFAOYSA-N
Compound name
2-(3-aminophenyl)-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

342
Patents

224.1062 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11348 147.2
[M+Na]+ 247.09542 157.6
[M-H]- 223.09892 151.4
[M+NH4]+ 242.14002 164.3
[M+K]+ 263.06936 151.1
[M+H-H2O]+ 207.10346 139.3
[M+HCOO]- 269.10440 170.9
[M+CH3COO]- 283.12005 159.8
[M+Na-2H]- 245.08087 154.0
[M]+ 224.10565 144.4
[M]- 224.10675 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe