CID 129615

3'-hydroxy-4'-methoxydiclofenac

Structural Information

Molecular Formula
C15H13Cl2NO4
SMILES
COC1=CC(=C(C(=C1O)Cl)NC2=CC=CC=C2CC(=O)O)Cl
InChI
InChI=1S/C15H13Cl2NO4/c1-22-11-7-9(16)14(13(17)15(11)21)18-10-5-3-2-4-8(10)6-12(19)20/h2-5,7,18,21H,6H2,1H3,(H,19,20)
InChIKey
YALZBLAHGKGDMB-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dichloro-3-hydroxy-4-methoxyanilino)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

17
Patents

341.02216 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.02944 170.4
[M+Na]+ 364.01138 180.2
[M-H]- 340.01488 174.9
[M+NH4]+ 359.05598 184.2
[M+K]+ 379.98532 174.1
[M+H-H2O]+ 324.01942 165.4
[M+HCOO]- 386.02036 183.0
[M+CH3COO]- 400.03601 207.6
[M+Na-2H]- 361.99683 171.8
[M]+ 341.02161 175.6
[M]- 341.02271 175.6
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.