CID 4111207

N-[4-(1h-benzimidazol-2-yl)phenyl]propanamide

Structural Information

Molecular Formula
C16H15N3O
SMILES
CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C16H15N3O/c1-2-15(20)17-12-9-7-11(8-10-12)16-18-13-5-3-4-6-14(13)19-16/h3-10H,2H2,1H3,(H,17,20)(H,18,19)
InChIKey
MCVVYYMAODSEGZ-UHFFFAOYSA-N
Compound name
N-[4-(1H-benzimidazol-2-yl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.12152 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 160.0
[M+Na]+ 288.11074 168.7
[M-H]- 264.11424 164.4
[M+NH4]+ 283.15534 175.7
[M+K]+ 304.08468 162.7
[M+H-H2O]+ 248.11878 151.4
[M+HCOO]- 310.11972 182.1
[M+CH3COO]- 324.13537 171.7
[M+Na-2H]- 286.09619 166.0
[M]+ 265.12097 160.2
[M]- 265.12207 160.2
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.