CID 9588282

Methyl 4-(p-chlorophenyl)-2-((p-methoxybenzylidene)amino)-5-thiazoleacetate

Structural Information

Molecular Formula
C20H17ClN2O3S
SMILES
COC1=CC=C(C=C1)/C=N/C2=NC(=C(S2)CC(=O)OC)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H17ClN2O3S/c1-25-16-9-3-13(4-10-16)12-22-20-23-19(14-5-7-15(21)8-6-14)17(27-20)11-18(24)26-2/h3-10,12H,11H2,1-2H3/b22-12+
InChIKey
QCZZVVHKWNTOIR-WSDLNYQXSA-N
Compound name
methyl 2-[4-(4-chlorophenyl)-2-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.06485 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.07213 194.3
[M+Na]+ 423.05407 203.8
[M-H]- 399.05757 204.9
[M+NH4]+ 418.09867 207.8
[M+K]+ 439.02801 197.6
[M+H-H2O]+ 383.06211 185.6
[M+HCOO]- 445.06305 210.4
[M+CH3COO]- 459.07870 221.4
[M+Na-2H]- 421.03952 192.9
[M]+ 400.06430 203.4
[M]- 400.06540 203.4
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.