CID 732397

N-[2-(1h-benzimidazol-2-yl)ethyl]-4-fluorobenzamide

Structural Information

Molecular Formula
C16H14FN3O
SMILES
C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H14FN3O/c17-12-7-5-11(6-8-12)16(21)18-10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKey
XKCPJXSGCGSDHR-UHFFFAOYSA-N
Compound name
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

283.1121 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11938 162.4
[M+Na]+ 306.10132 171.1
[M-H]- 282.10482 165.3
[M+NH4]+ 301.14592 177.3
[M+K]+ 322.07526 164.6
[M+H-H2O]+ 266.10936 152.7
[M+HCOO]- 328.11030 183.4
[M+CH3COO]- 342.12595 173.5
[M+Na-2H]- 304.08677 167.8
[M]+ 283.11155 161.5
[M]- 283.11265 161.5
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.