CID 3074900

168127-36-4

Structural Information

Molecular Formula
C18H16N2O4S
SMILES
COC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(C=C3)OCC(=O)O
InChI
InChI=1S/C18H16N2O4S/c1-23-14-8-4-13(5-9-14)19-18-20-16(11-25-18)12-2-6-15(7-3-12)24-10-17(21)22/h2-9,11H,10H2,1H3,(H,19,20)(H,21,22)
InChIKey
MZMWLGNMFMWALC-UHFFFAOYSA-N
Compound name
2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.08307 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.09035 181.3
[M+Na]+ 379.07229 193.5
[M+NH4]+ 374.11689 188.0
[M+K]+ 395.04623 187.1
[M-H]- 355.07579 186.0
[M+Na-2H]- 377.05774 189.4
[M]+ 356.08252 184.7
[M]- 356.08362 184.7
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.