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]+ 251.12912 155.3
[M+Na]+ 273.11106 164.0
[M-H]- 249.11456 160.6
[M+NH4]+ 268.15566 171.7
[M+K]+ 289.08500 158.2
[M+H-H2O]+ 233.11910 146.4
[M+HCOO]- 295.12004 179.4
[M+CH3COO]- 309.13569 167.4
[M+Na-2H]- 271.09651 161.8
[M]+ 250.12129 154.0
[M]- 250.12239 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.