CID 3054245

Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-methoxybenzyl)amino)-

Structural Information

Molecular Formula
C19H17ClN2O3S
SMILES
COC1=CC=C(C=C1)CNC2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H17ClN2O3S/c1-25-15-8-2-12(3-9-15)11-21-19-22-18(16(26-19)10-17(23)24)13-4-6-14(20)7-5-13/h2-9H,10-11H2,1H3,(H,21,22)(H,23,24)
InChIKey
DTQAMZQNSDGZBT-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.06485 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.07213 189.6
[M+Na]+ 411.05407 203.4
[M+NH4]+ 406.09867 197.0
[M+K]+ 427.02801 195.4
[M-H]- 387.05757 194.9
[M+Na-2H]- 409.03952 197.6
[M]+ 388.06430 193.8
[M]- 388.06540 193.8
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.