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]+ 314.13868 173.7
[M+Na]+ 336.12062 184.8
[M+NH4]+ 331.16522 179.6
[M+K]+ 352.09456 179.7
[M-H]- 312.12412 176.4
[M+Na-2H]- 334.10607 179.9
[M]+ 313.13085 175.8
[M]- 313.13195 175.8
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.