CID 149511

Chembl563834

Structural Information

Molecular Formula
C15H14N6
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=N)N)C(=N)N
InChI
InChI=1S/C15H14N6/c16-13(17)8-1-3-9(4-2-8)15-20-11-6-5-10(14(18)19)7-12(11)21-15/h1-7H,(H3,16,17)(H3,18,19)(H,20,21)
InChIKey
CZPXYHUXDSNUPW-UHFFFAOYSA-N
Compound name
2-(4-carbamimidoylphenyl)-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

278.128 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13528 160.9
[M+Na]+ 301.11722 168.3
[M-H]- 277.12072 165.1
[M+NH4]+ 296.16182 174.6
[M+K]+ 317.09116 161.9
[M+H-H2O]+ 261.12526 152.3
[M+HCOO]- 323.12620 184.2
[M+CH3COO]- 337.14185 171.4
[M+Na-2H]- 299.10267 165.7
[M]+ 278.12745 154.9
[M]- 278.12855 154.9
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.