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

literature stripe

Patent stripe

patents stripe