CID 4985612

4-{[(3-methoxyphenyl)carbamoyl]methoxy}benzoic acid

Structural Information

Molecular Formula
C16H15NO5
SMILES
COC1=CC=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H15NO5/c1-21-14-4-2-3-12(9-14)17-15(18)10-22-13-7-5-11(6-8-13)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKey
JLZDLGWJGAZARE-UHFFFAOYSA-N
Compound name
4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.09503 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10231 168.0
[M+Na]+ 324.08425 179.4
[M+NH4]+ 319.12885 173.7
[M+K]+ 340.05819 174.5
[M-H]- 300.08775 170.4
[M+Na-2H]- 322.06970 174.6
[M]+ 301.09448 170.0
[M]- 301.09558 170.0
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.