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]+ 387.056476 189.3
[M+Na]+ 409.038418 198.8
[M-H]- 385.041924 198.9
[M+NH4]+ 404.083023 202.7
[M+K]+ 425.012358 192.1
[M+H-H2O]+ 369.046460 181.3
[M+HCOO]- 431.047401 204.4
[M+CH3COO]- 445.063051 216.2
[M+Na-2H]- 407.023866 188.2
[M]+ 386.04865142 196.4
[M]- 386.04974858 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.