CID 3057823

74241-16-0

Structural Information

Molecular Formula
C16H13ClN2O4S
SMILES
COC(=O)CC1=C(N=C(S1)N2C(=O)CCC2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H13ClN2O4S/c1-23-14(22)8-11-15(9-2-4-10(17)5-3-9)18-16(24-11)19-12(20)6-7-13(19)21/h2-5H,6-8H2,1H3
InChIKey
RKSFYEXJYCCLGN-UHFFFAOYSA-N
Compound name
methyl 2-[4-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.02844 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.03572 182.2
[M+Na]+ 387.01766 194.2
[M+NH4]+ 382.06226 188.6
[M+K]+ 402.99160 189.9
[M-H]- 363.02116 184.8
[M+Na-2H]- 385.00311 186.9
[M]+ 364.02789 185.1
[M]- 364.02899 185.1
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.