CID 725900

304890-53-7

Structural Information

Molecular Formula
C18H19NO4
SMILES
CC(C)C1=CC=CC=C1OCC(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C18H19NO4/c1-12(2)13-7-4-6-10-16(13)23-11-17(20)19-15-9-5-3-8-14(15)18(21)22/h3-10,12H,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKey
IKYWZDUHMPQLFU-UHFFFAOYSA-N
Compound name
2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1314 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.138676 173.1
[M+Na]+ 336.120618 177.9
[M-H]- 312.124124 178.3
[M+NH4]+ 331.165223 186.2
[M+K]+ 352.094558 175.1
[M+H-H2O]+ 296.128660 165.0
[M+HCOO]- 358.129601 193.9
[M+CH3COO]- 372.145251 207.5
[M+Na-2H]- 334.106066 174.0
[M]+ 313.13085142 174.2
[M]- 313.13194858 174.2
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.