CID 24690767

Akos000167140

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]+ 267.12404 158.4
[M+Na]+ 289.10598 167.0
[M-H]- 265.10948 163.8
[M+NH4]+ 284.15058 174.2
[M+K]+ 305.07992 161.9
[M+H-H2O]+ 249.11402 149.4
[M+HCOO]- 311.11496 182.8
[M+CH3COO]- 325.13061 170.4
[M+Na-2H]- 287.09143 165.1
[M]+ 266.11621 158.5
[M]- 266.11731 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.