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]+ 375.056476 183.4
[M+Na]+ 397.038418 191.9
[M-H]- 373.041924 190.2
[M+NH4]+ 392.083023 195.8
[M+K]+ 413.012358 184.4
[M+H-H2O]+ 357.046460 176.3
[M+HCOO]- 419.047401 195.6
[M+CH3COO]- 433.063051 193.4
[M+Na-2H]- 395.023866 182.4
[M]+ 374.04865142 187.5
[M]- 374.04974858 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.