CID 9589175

2-(n-phenylguanidino)benzimidazole dihydrochloride hydrate

Structural Information

Molecular Formula
C14H13N5
SMILES
C1=CC=C(C=C1)N/C(=N/C2=NC3=CC=CC=C3N2)/N
InChI
InChI=1S/C14H13N5/c15-13(16-10-6-2-1-3-7-10)19-14-17-11-8-4-5-9-12(11)18-14/h1-9H,(H4,15,16,17,18,19)
InChIKey
GOSCMMJAOFBTRJ-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-1-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.1171 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12438 152.0
[M+Na]+ 274.10632 159.6
[M-H]- 250.10982 157.3
[M+NH4]+ 269.15092 167.9
[M+K]+ 290.08026 154.1
[M+H-H2O]+ 234.11436 142.9
[M+HCOO]- 296.11530 177.7
[M+CH3COO]- 310.13095 163.9
[M+Na-2H]- 272.09177 160.9
[M]+ 251.11655 149.4
[M]- 251.11765 149.4
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.