CID 2357239

519152-79-5

Structural Information

Molecular Formula
C14H13N3O2
SMILES
C1=CC=C2C(=C1)NC(=N2)CC(=O)NCC3=CC=CO3
InChI
InChI=1S/C14H13N3O2/c18-14(15-9-10-4-3-7-19-10)8-13-16-11-5-1-2-6-12(11)17-13/h1-7H,8-9H2,(H,15,18)(H,16,17)
InChIKey
WHXYDNRPQKKYAE-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

255.10077 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 154.9
[M+Na]+ 278.08999 163.3
[M-H]- 254.09349 160.1
[M+NH4]+ 273.13459 171.2
[M+K]+ 294.06393 159.9
[M+H-H2O]+ 238.09803 147.1
[M+HCOO]- 300.09897 177.8
[M+CH3COO]- 314.11462 167.3
[M+Na-2H]- 276.07544 160.4
[M]+ 255.10022 156.9
[M]- 255.10132 156.9
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

No patent data available for this compound.