CID 2063844

349091-40-3

Structural Information

Molecular Formula
C17H14ClNO5
SMILES
COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)Cl)C(=O)OC
InChI
InChI=1S/C17H14ClNO5/c1-23-16(21)11-7-12(17(22)24-2)9-14(8-11)19-15(20)10-3-5-13(18)6-4-10/h3-9H,1-2H3,(H,19,20)
InChIKey
YWYOZPFTYOVWES-UHFFFAOYSA-N
Compound name
dimethyl 5-[(4-chlorobenzoyl)amino]benzene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.05606 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.06334 175.1
[M+Na]+ 370.04528 182.8
[M-H]- 346.04878 182.3
[M+NH4]+ 365.08988 188.7
[M+K]+ 386.01922 179.5
[M+H-H2O]+ 330.05332 167.9
[M+HCOO]- 392.05426 193.7
[M+CH3COO]- 406.06991 211.9
[M+Na-2H]- 368.03073 176.1
[M]+ 347.05551 181.1
[M]- 347.05661 181.1
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.