CID 532190

2-bromo-n-(2,5-dimethoxyphenyl)benzamide

Structural Information

Molecular Formula
C15H14BrNO3
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C15H14BrNO3/c1-19-10-7-8-14(20-2)13(9-10)17-15(18)11-5-3-4-6-12(11)16/h3-9H,1-2H3,(H,17,18)
InChIKey
HDXJPXBBMPRJKN-UHFFFAOYSA-N
Compound name
2-bromo-N-(2,5-dimethoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
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]+ 336.022996 166.9
[M+Na]+ 358.004938 177.2
[M-H]- 334.008444 176.1
[M+NH4]+ 353.049543 184.0
[M+K]+ 373.978878 166.2
[M+H-H2O]+ 318.012980 164.8
[M+HCOO]- 380.013921 188.9
[M+CH3COO]- 394.029571 207.6
[M+Na-2H]- 355.990386 172.1
[M]+ 335.01517142 187.9
[M]- 335.01626858 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.