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]+ 302.102306 166.6
[M+Na]+ 324.084248 172.3
[M-H]- 300.087754 172.0
[M+NH4]+ 319.128853 180.1
[M+K]+ 340.058188 170.1
[M+H-H2O]+ 284.092290 158.3
[M+HCOO]- 346.093231 189.2
[M+CH3COO]- 360.108881 202.8
[M+Na-2H]- 322.069696 169.8
[M]+ 301.09448142 168.9
[M]- 301.09557858 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.