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]+ 252.124376 152.0
[M+Na]+ 274.106318 159.6
[M-H]- 250.109824 157.3
[M+NH4]+ 269.150923 167.9
[M+K]+ 290.080258 154.1
[M+H-H2O]+ 234.114360 142.9
[M+HCOO]- 296.115301 177.7
[M+CH3COO]- 310.130951 163.9
[M+Na-2H]- 272.091766 160.9
[M]+ 251.11655142 149.4
[M]- 251.11764858 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.