CID 5274055

Ethyl 4-[(2-hydroxy-4-methoxy-benzoyl)amino]benzoate

Structural Information

Molecular Formula
C17H17NO5
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)OC)O
InChI
InChI=1S/C17H17NO5/c1-3-23-17(21)11-4-6-12(7-5-11)18-16(20)14-9-8-13(22-2)10-15(14)19/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKey
PGULAHGZTHLJTB-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-hydroxy-4-methoxybenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

315.1107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11798 171.3
[M+Na]+ 338.09992 177.5
[M-H]- 314.10342 176.9
[M+NH4]+ 333.14452 184.6
[M+K]+ 354.07386 175.2
[M+H-H2O]+ 298.10796 163.1
[M+HCOO]- 360.10890 193.5
[M+CH3COO]- 374.12455 206.4
[M+Na-2H]- 336.08537 173.2
[M]+ 315.11015 174.3
[M]- 315.11125 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe