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]+ 334.08406 175.0
[M+Na]+ 356.06600 188.4
[M+NH4]+ 351.11060 181.5
[M+K]+ 372.03994 182.1
[M-H]- 332.06950 178.1
[M+Na-2H]- 354.05145 181.5
[M]+ 333.07623 177.9
[M]- 333.07733 177.9
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.