CID 24690767

1016739-85-7

Structural Information

Molecular Formula
C15H14N4O
SMILES
C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)/C(=N/O)/N
InChI
InChI=1S/C15H14N4O/c16-15(18-20)12-7-5-11(6-8-12)9-19-10-17-13-3-1-2-4-14(13)19/h1-8,10,20H,9H2,(H2,16,18)
InChIKey
OJFRJQIMOFVKEG-UHFFFAOYSA-N
Compound name
4-(benzimidazol-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11676 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.124036 158.4
[M+Na]+ 289.105978 167.0
[M-H]- 265.109484 163.8
[M+NH4]+ 284.150583 174.2
[M+K]+ 305.079918 161.9
[M+H-H2O]+ 249.114020 149.4
[M+HCOO]- 311.114961 182.8
[M+CH3COO]- 325.130611 170.4
[M+Na-2H]- 287.091426 165.1
[M]+ 266.11621142 158.5
[M]- 266.11730858 158.5
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.