CID 986287

Methyl 4-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate

Structural Information

Molecular Formula
C16H13Cl2NO4
SMILES
COC1=C(C=CC(=C1C(=O)NC2=CC=C(C=C2)C(=O)OC)Cl)Cl
InChI
InChI=1S/C16H13Cl2NO4/c1-22-14-12(18)8-7-11(17)13(14)15(20)19-10-5-3-9(4-6-10)16(21)23-2/h3-8H,1-2H3,(H,19,20)
InChIKey
ZZIVMEREMOBTBA-UHFFFAOYSA-N
Compound name
methyl 4-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

353.02216 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.029436 174.1
[M+Na]+ 376.011378 183.6
[M-H]- 352.014884 181.0
[M+NH4]+ 371.055983 188.6
[M+K]+ 391.985318 178.7
[M+H-H2O]+ 336.019420 168.2
[M+HCOO]- 398.020361 188.6
[M+CH3COO]- 412.036011 212.6
[M+Na-2H]- 373.996826 175.4
[M]+ 353.02161142 181.5
[M]- 353.02270858 181.5
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

patents stripe