CID 24694539

4-(1h-1,3-benzodiazol-1-ylmethyl)benzene-1-carboximidamide dihydrochloride

Structural Information

Molecular Formula
C15H14N4
SMILES
C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C15H14N4/c16-15(17)12-7-5-11(6-8-12)9-19-10-18-13-3-1-2-4-14(13)19/h1-8,10H,9H2,(H3,16,17)
InChIKey
OEXWIKGFJXSSRU-UHFFFAOYSA-N
Compound name
4-(benzimidazol-1-ylmethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12184 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.129116 155.3
[M+Na]+ 273.111058 164.0
[M-H]- 249.114564 160.6
[M+NH4]+ 268.155663 171.7
[M+K]+ 289.084998 158.2
[M+H-H2O]+ 233.119100 146.4
[M+HCOO]- 295.120041 179.4
[M+CH3COO]- 309.135691 167.4
[M+Na-2H]- 271.096506 161.8
[M]+ 250.12129142 154.0
[M]- 250.12238858 154.0
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.