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 183.0
[M+Na]+ 387.01766 193.4
[M-H]- 363.02116 191.8
[M+NH4]+ 382.06226 198.1
[M+K]+ 402.99160 188.4
[M+H-H2O]+ 347.02570 176.3
[M+HCOO]- 409.02664 195.1
[M+CH3COO]- 423.04229 209.1
[M+Na-2H]- 385.00311 177.5
[M]+ 364.02789 189.5
[M]- 364.02899 189.5
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.