CID 6481774

4-bromo-n-[4-(imidazol-1-ylmethyl)phenyl]benzamide

Structural Information

Molecular Formula
C17H14BrN3O
SMILES
C1=CC(=CC=C1CN2C=CN=C2)NC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H14BrN3O/c18-15-5-3-14(4-6-15)17(22)20-16-7-1-13(2-8-16)11-21-10-9-19-12-21/h1-10,12H,11H2,(H,20,22)
InChIKey
PTSQTMDFDVERCG-UHFFFAOYSA-N
Compound name
4-bromo-N-[4-(imidazol-1-ylmethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.032 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.03928 173.9
[M+Na]+ 378.02122 183.9
[M-H]- 354.02472 183.6
[M+NH4]+ 373.06582 189.0
[M+K]+ 393.99516 171.3
[M+H-H2O]+ 338.02926 170.8
[M+HCOO]- 400.03020 194.8
[M+CH3COO]- 414.04585 186.6
[M+Na-2H]- 376.00667 178.9
[M]+ 355.03145 192.0
[M]- 355.03255 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.