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 198.8
[M-H]- 385.04192 198.9
[M+NH4]+ 404.08302 202.7
[M+K]+ 425.01236 192.1
[M+H-H2O]+ 369.04646 181.3
[M+HCOO]- 431.04740 204.4
[M+CH3COO]- 445.06305 216.2
[M+Na-2H]- 407.02387 188.2
[M]+ 386.04865 196.4
[M]- 386.04975 196.4
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.