CID 477568

(2-phenylacetyl) 2-oxothiazolidine-4-carboxylate

Structural Information

Molecular Formula
C12H11NO4S
SMILES
C1C(NC(=O)S1)C(=O)OC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C12H11NO4S/c14-10(6-8-4-2-1-3-5-8)17-11(15)9-7-18-12(16)13-9/h1-5,9H,6-7H2,(H,13,16)
InChIKey
FZORLQVMFRLPJF-UHFFFAOYSA-N
Compound name
(2-phenylacetyl) 2-oxo-1,3-thiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.0409 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04818 158.8
[M+Na]+ 288.03012 165.0
[M-H]- 264.03362 162.8
[M+NH4]+ 283.07472 175.1
[M+K]+ 304.00406 161.9
[M+H-H2O]+ 248.03816 152.1
[M+HCOO]- 310.03910 173.4
[M+CH3COO]- 324.05475 187.7
[M+Na-2H]- 286.01557 157.3
[M]+ 265.04035 158.9
[M]- 265.04145 158.9
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.