CID 135770256

4-(p-chlorophenyl)-2-((p-hydroxybenzylidene)amino)thiazole-5-acetic acid methyl ester

Structural Information

Molecular Formula
C19H15ClN2O3S
SMILES
COC(=O)CC1=C(N=C(S1)/N=C/C2=CC=C(C=C2)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15ClN2O3S/c1-25-17(24)10-16-18(13-4-6-14(20)7-5-13)22-19(26-16)21-11-12-2-8-15(23)9-3-12/h2-9,11,23H,10H2,1H3/b21-11+
InChIKey
GQXQDHHCWKUFHC-SRZZPIQSSA-N
Compound name
methyl 2-[4-(4-chlorophenyl)-2-[(E)-(4-hydroxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.0492 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.05648 189.3
[M+Na]+ 409.03842 203.6
[M+NH4]+ 404.08302 196.8
[M+K]+ 425.01236 195.2
[M-H]- 385.04192 194.8
[M+Na-2H]- 407.02387 197.7
[M]+ 386.04865 193.6
[M]- 386.04975 193.6
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.