CID 732400

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

Structural Information

Molecular Formula
C16H14BrN3O
SMILES
C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C16H14BrN3O/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
WHYGAXUMRLXJGG-UHFFFAOYSA-N
Compound name
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

343.032 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.03928 173.9
[M+Na]+ 366.02122 178.0
[M+NH4]+ 361.06582 177.8
[M+K]+ 381.99516 177.9
[M-H]- 342.02472 175.6
[M+Na-2H]- 364.00667 178.0
[M]+ 343.03145 173.7
[M]- 343.03255 173.7
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