CID 6481460

Schembl8160089

Structural Information

Molecular Formula
C16H20N2O3S
SMILES
C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N3CCSC3
InChI
InChI=1S/C16H20N2O3S/c19-15(17-9-10-22-12-17)14-7-4-8-18(14)16(20)21-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2
InChIKey
UJBOEHNGHKEEQC-UHFFFAOYSA-N
Compound name
benzyl 2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

320.11948 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12676 177.0
[M+Na]+ 343.10870 181.3
[M-H]- 319.11220 183.8
[M+NH4]+ 338.15330 192.1
[M+K]+ 359.08264 178.9
[M+H-H2O]+ 303.11674 169.0
[M+HCOO]- 365.11768 189.8
[M+CH3COO]- 379.13333 199.7
[M+Na-2H]- 341.09415 171.5
[M]+ 320.11893 175.8
[M]- 320.12003 175.8
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