CID 217303

38507-95-8

Structural Information

Molecular Formula
C17H16ClNO4
SMILES
CCOC(=O)C1=C(C=CC(=C1)C(=O)NC2=C(C(=CC=C2)Cl)C)O
InChI
InChI=1S/C17H16ClNO4/c1-3-23-17(22)12-9-11(7-8-15(12)20)16(21)19-14-6-4-5-13(18)10(14)2/h4-9,20H,3H2,1-2H3,(H,19,21)
InChIKey
ISTNAPWTPCWQPW-UHFFFAOYSA-N
Compound name
ethyl 5-[(3-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 173.9
[M+Na]+ 356.06600 182.2
[M-H]- 332.06950 180.0
[M+NH4]+ 351.11060 188.0
[M+K]+ 372.03994 177.5
[M+H-H2O]+ 316.07404 167.3
[M+HCOO]- 378.07498 191.6
[M+CH3COO]- 392.09063 209.1
[M+Na-2H]- 354.05145 174.8
[M]+ 333.07623 178.4
[M]- 333.07733 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.