CID 836936

N-(4-bromophenyl)-3,5-dimethoxybenzamide

Structural Information

Molecular Formula
C15H14BrNO3
SMILES
COC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)Br)OC
InChI
InChI=1S/C15H14BrNO3/c1-19-13-7-10(8-14(9-13)20-2)15(18)17-12-5-3-11(16)4-6-12/h3-9H,1-2H3,(H,17,18)
InChIKey
RRSAEQFOCLJPMX-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-3,5-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.01572 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.02300 166.9
[M+Na]+ 358.00494 177.2
[M-H]- 334.00844 176.1
[M+NH4]+ 353.04954 184.0
[M+K]+ 373.97888 166.2
[M+H-H2O]+ 318.01298 164.8
[M+HCOO]- 380.01392 188.9
[M+CH3COO]- 394.02957 207.6
[M+Na-2H]- 355.99039 172.1
[M]+ 335.01517 187.9
[M]- 335.01627 187.9
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.