CID 3074899

168127-35-3

Structural Information

Molecular Formula
C17H14N2O3S
SMILES
C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(C=C3)OCC(=O)O
InChI
InChI=1S/C17H14N2O3S/c20-16(21)10-22-14-8-6-12(7-9-14)15-11-23-17(19-15)18-13-4-2-1-3-5-13/h1-9,11H,10H2,(H,18,19)(H,20,21)
InChIKey
WCSYUJTYBAYNLX-UHFFFAOYSA-N
Compound name
2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0725 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07978 172.8
[M+Na]+ 349.06172 180.0
[M-H]- 325.06522 180.5
[M+NH4]+ 344.10632 186.3
[M+K]+ 365.03566 174.7
[M+H-H2O]+ 309.06976 164.3
[M+HCOO]- 371.07070 191.5
[M+CH3COO]- 385.08635 183.6
[M+Na-2H]- 347.04717 174.3
[M]+ 326.07195 175.2
[M]- 326.07305 175.2
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.