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 166.6
[M+Na]+ 324.08425 172.3
[M-H]- 300.08775 172.0
[M+NH4]+ 319.12885 180.1
[M+K]+ 340.05819 170.1
[M+H-H2O]+ 284.09229 158.3
[M+HCOO]- 346.09323 189.2
[M+CH3COO]- 360.10888 202.8
[M+Na-2H]- 322.06970 169.8
[M]+ 301.09448 168.9
[M]- 301.09558 168.9
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.