CID 763448

294891-58-0

Structural Information

Molecular Formula
C18H13N3O2
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4
InChI
InChI=1S/C18H13N3O2/c22-18(16-6-3-11-23-16)19-13-9-7-12(8-10-13)17-20-14-4-1-2-5-15(14)21-17/h1-11H,(H,19,22)(H,20,21)
InChIKey
KIQKNOSKYQWLAW-UHFFFAOYSA-N
Compound name
N-[4-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

14
Patents

303.10077 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.108046 166.4
[M+Na]+ 326.089988 175.2
[M-H]- 302.093494 175.2
[M+NH4]+ 321.134593 180.5
[M+K]+ 342.063928 170.5
[M+H-H2O]+ 286.098030 157.8
[M+HCOO]- 348.098971 189.2
[M+CH3COO]- 362.114621 178.4
[M+Na-2H]- 324.075436 171.1
[M]+ 303.10022142 167.7
[M]- 303.10131858 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe