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 170.8
[M+Na]+ 366.02122 181.8
[M-H]- 342.02472 177.4
[M+NH4]+ 361.06582 187.1
[M+K]+ 381.99516 168.3
[M+H-H2O]+ 326.02926 168.6
[M+HCOO]- 388.03020 190.4
[M+CH3COO]- 402.04585 183.4
[M+Na-2H]- 364.00667 177.4
[M]+ 343.03145 189.5
[M]- 343.03255 189.5
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

patents stripe