CID 217299

38507-91-4

Structural Information

Molecular Formula
C18H19NO5
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)O)C(=O)OCC
InChI
InChI=1S/C18H19NO5/c1-3-23-14-8-6-13(7-9-14)19-17(21)12-5-10-16(20)15(11-12)18(22)24-4-2/h5-11,20H,3-4H2,1-2H3,(H,19,21)
InChIKey
NDSDEHICPAGUDL-UHFFFAOYSA-N
Compound name
ethyl 5-[(4-ethoxyphenyl)carbamoyl]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1263 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.133576 175.9
[M+Na]+ 352.115518 181.7
[M-H]- 328.119024 181.3
[M+NH4]+ 347.160123 188.6
[M+K]+ 368.089458 179.2
[M+H-H2O]+ 312.123560 167.5
[M+HCOO]- 374.124501 197.8
[M+CH3COO]- 388.140151 209.4
[M+Na-2H]- 350.100966 177.3
[M]+ 329.12575142 179.2
[M]- 329.12684858 179.2
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.