CID 3057832

5-thiazoleacetic acid, 4-(p-chlorophenyl)-2-((p-hydroxybenzyl)amino)-

Structural Information

Molecular Formula
C18H15ClN2O3S
SMILES
C1=CC(=CC=C1CNC2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C18H15ClN2O3S/c19-13-5-3-12(4-6-13)17-15(9-16(23)24)25-18(21-17)20-10-11-1-7-14(22)8-2-11/h1-8,22H,9-10H2,(H,20,21)(H,23,24)
InChIKey
ATHLYFBWZLICIQ-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)-2-[(4-hydroxyphenyl)methylamino]-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0492 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.05648 185.3
[M+Na]+ 397.03842 198.7
[M+NH4]+ 392.08302 192.5
[M+K]+ 413.01236 191.3
[M-H]- 373.04192 190.1
[M+Na-2H]- 395.02387 192.9
[M]+ 374.04865 189.2
[M]- 374.04975 189.2
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.