CID 3054244

Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-(o-hydroxybenzylamino)-

Structural Information

Molecular Formula
C18H15ClN2O3S
SMILES
C1=CC=C(C(=C1)CNC2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C18H15ClN2O3S/c19-13-7-5-11(6-8-13)17-15(9-16(23)24)25-18(21-17)20-10-12-3-1-2-4-14(12)22/h1-8,22H,9-10H2,(H,20,21)(H,23,24)
InChIKey
VHAFEQHXVFMFCY-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)-2-[(2-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 183.4
[M+Na]+ 397.03842 191.9
[M-H]- 373.04192 190.2
[M+NH4]+ 392.08302 195.8
[M+K]+ 413.01236 184.4
[M+H-H2O]+ 357.04646 176.3
[M+HCOO]- 419.04740 195.6
[M+CH3COO]- 433.06305 193.4
[M+Na-2H]- 395.02387 182.4
[M]+ 374.04865 187.5
[M]- 374.04975 187.5
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.