CID 9578401

1-(1h-benzimidazol-2-yl)-3-(4-chlorophenyl)guanidine

Structural Information

Molecular Formula
C14H12ClN5
SMILES
C1=CC=C2C(=C1)NC(=N2)/N=C(\N)/NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H12ClN5/c15-9-5-7-10(8-6-9)17-13(16)20-14-18-11-3-1-2-4-12(11)19-14/h1-8H,(H4,16,17,18,19,20)
InChIKey
PQJCUAFCEUNLHA-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.07812 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08540 161.6
[M+Na]+ 308.06734 170.7
[M-H]- 284.07084 166.7
[M+NH4]+ 303.11194 177.2
[M+K]+ 324.04128 163.7
[M+H-H2O]+ 268.07538 152.9
[M+HCOO]- 330.07632 182.5
[M+CH3COO]- 344.09197 173.1
[M+Na-2H]- 306.05279 168.7
[M]+ 285.07757 161.5
[M]- 285.07867 161.5
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.