CID 217302

38507-94-7

Structural Information

Molecular Formula
C17H16ClNO4
SMILES
CCOC(=O)C1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)Cl)C)O
InChI
InChI=1S/C17H16ClNO4/c1-3-23-17(22)13-9-11(4-7-15(13)20)16(21)19-14-6-5-12(18)8-10(14)2/h4-9,20H,3H2,1-2H3,(H,19,21)
InChIKey
WCOUDZCAJTZYGJ-UHFFFAOYSA-N
Compound name
ethyl 5-[(4-chloro-2-methylphenyl)carbamoyl]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.07678 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.084056 173.9
[M+Na]+ 356.065998 182.2
[M-H]- 332.069504 180.0
[M+NH4]+ 351.110603 188.0
[M+K]+ 372.039938 177.5
[M+H-H2O]+ 316.074040 167.3
[M+HCOO]- 378.074981 191.6
[M+CH3COO]- 392.090631 209.1
[M+Na-2H]- 354.051446 174.8
[M]+ 333.07623142 178.4
[M]- 333.07732858 178.4
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.