CID 6481458

Schembl10518549

Structural Information

Molecular Formula
C16H20N2O4S
SMILES
C1COCCN1C(=O)C2CSCN2C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C16H20N2O4S/c19-15(17-6-8-21-9-7-17)14-11-23-12-18(14)16(20)22-10-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKey
UWACKUSRNCFECL-UHFFFAOYSA-N
Compound name
benzyl 4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

336.11438 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12166 177.6
[M+Na]+ 359.10360 180.8
[M-H]- 335.10710 184.1
[M+NH4]+ 354.14820 188.6
[M+K]+ 375.07754 179.4
[M+H-H2O]+ 319.11164 169.0
[M+HCOO]- 381.11258 187.5
[M+CH3COO]- 395.12823 202.3
[M+Na-2H]- 357.08905 174.8
[M]+ 336.11383 175.8
[M]- 336.11493 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

No patent data available for this compound.