CID 721150

Ethyl 4-(2-chlorobenzamido)benzoate

Structural Information

Molecular Formula
C16H14ClNO3
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C16H14ClNO3/c1-2-21-16(20)11-7-9-12(10-8-11)18-15(19)13-5-3-4-6-14(13)17/h3-10H,2H2,1H3,(H,18,19)
InChIKey
JTJUVXPRZUGBSK-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-chlorobenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.06622 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.07350 167.2
[M+Na]+ 326.05544 174.7
[M-H]- 302.05894 174.0
[M+NH4]+ 321.10004 182.6
[M+K]+ 342.02938 170.1
[M+H-H2O]+ 286.06348 160.1
[M+HCOO]- 348.06442 186.5
[M+CH3COO]- 362.08007 203.8
[M+Na-2H]- 324.04089 170.3
[M]+ 303.06567 170.9
[M]- 303.06677 170.9
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.