CID 7275254

N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C16H15BrClNO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C=C(C=C2)Br)Cl
InChI
InChI=1S/C16H15BrClNO4/c1-21-13-6-9(7-14(22-2)15(13)23-3)16(20)19-12-5-4-10(17)8-11(12)18/h4-8H,1-3H3,(H,19,20)
InChIKey
VIWFDEXZCIDMTK-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.9873 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.99458 177.9
[M+Na]+ 421.97652 190.2
[M-H]- 397.98002 187.5
[M+NH4]+ 417.02112 194.0
[M+K]+ 437.95046 177.9
[M+H-H2O]+ 381.98456 176.4
[M+HCOO]- 443.98550 195.4
[M+CH3COO]- 458.00115 218.1
[M+Na-2H]- 419.96197 181.2
[M]+ 398.98675 203.4
[M]- 398.98785 203.4
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.