CID 217315

38539-79-6

Structural Information

Molecular Formula
C18H19NO4
SMILES
CCOC(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2C)C)O
InChI
InChI=1S/C18H19NO4/c1-4-23-18(22)14-10-13(8-9-16(14)20)17(21)19-15-7-5-6-11(2)12(15)3/h5-10,20H,4H2,1-3H3,(H,19,21)
InChIKey
MUTHJQAWFWDDDK-UHFFFAOYSA-N
Compound name
ethyl 5-[(2,3-dimethylphenyl)carbamoyl]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1314 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.138676 172.8
[M+Na]+ 336.120618 179.7
[M-H]- 312.124124 178.7
[M+NH4]+ 331.165223 186.6
[M+K]+ 352.094558 176.6
[M+H-H2O]+ 296.128660 164.9
[M+HCOO]- 358.129601 194.5
[M+CH3COO]- 372.145251 208.5
[M+Na-2H]- 334.106066 173.4
[M]+ 313.13085142 175.2
[M]- 313.13194858 175.2
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.