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

326
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.