CID 5274042

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

Structural Information

Molecular Formula
C17H17NO4
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)C)O
InChI
InChI=1S/C17H17NO4/c1-3-22-17(21)12-5-7-13(8-6-12)18-16(20)14-9-4-11(2)10-15(14)19/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKey
HYCSQWQTVFKTAU-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-hydroxy-4-methylbenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.11575 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12303 168.5
[M+Na]+ 322.10497 175.0
[M-H]- 298.10847 174.3
[M+NH4]+ 317.14957 182.7
[M+K]+ 338.07891 172.0
[M+H-H2O]+ 282.11301 160.7
[M+HCOO]- 344.11395 190.6
[M+CH3COO]- 358.12960 204.2
[M+Na-2H]- 320.09042 170.4
[M]+ 299.11520 170.2
[M]- 299.11630 170.2
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

No patent data available for this compound.