CID 3024716

96928-30-2

Structural Information

Molecular Formula
C18H15ClN2O3S
SMILES
CC(C(=O)O)OC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H15ClN2O3S/c1-11(17(22)23)24-15-8-2-12(3-9-15)16-10-25-18(21-16)20-14-6-4-13(19)5-7-14/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKey
LALVAGJENPPKHC-UHFFFAOYSA-N
Compound name
2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0492 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.05648 184.2
[M+Na]+ 397.03842 197.4
[M+NH4]+ 392.08302 191.6
[M+K]+ 413.01236 190.3
[M-H]- 373.04192 189.2
[M+Na-2H]- 395.02387 192.4
[M]+ 374.04865 188.2
[M]- 374.04975 188.2
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.