CID 6481653

Benzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate

Structural Information

Molecular Formula
C15H18N2O3S2
SMILES
C1CSCN1C(=O)C2CSCN2C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H18N2O3S2/c18-14(16-6-7-21-10-16)13-9-22-11-17(13)15(19)20-8-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKey
ARKABCLDYHVJMU-UHFFFAOYSA-N
Compound name
benzyl 4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

338.0759 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08318 178.8
[M+Na]+ 361.06512 184.3
[M-H]- 337.06862 185.5
[M+NH4]+ 356.10972 193.8
[M+K]+ 377.03906 181.2
[M+H-H2O]+ 321.07316 172.2
[M+HCOO]- 383.07410 187.0
[M+CH3COO]- 397.08975 188.2
[M+Na-2H]- 359.05057 172.7
[M]+ 338.07535 178.8
[M]- 338.07645 178.8
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

patents stripe