CID 3064944

106086-14-0

Structural Information

Molecular Formula
C15H20N2O3S
SMILES
CC(C)(C)OC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C15H20N2O3S/c1-15(2,3)20-14(19)17-11(12(16)18)9-21-13(17)10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3,(H2,16,18)
InChIKey
MPRRUVJPEMVHGI-UHFFFAOYSA-N
Compound name
tert-butyl 4-carbamoyl-2-phenyl-1,3-thiazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.11948 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.126756 173.4
[M+Na]+ 331.108698 178.9
[M-H]- 307.112204 178.2
[M+NH4]+ 326.153303 188.7
[M+K]+ 347.082638 176.1
[M+H-H2O]+ 291.116740 166.5
[M+HCOO]- 353.117681 186.8
[M+CH3COO]- 367.133331 203.1
[M+Na-2H]- 329.094146 170.9
[M]+ 308.11893142 173.7
[M]- 308.12002858 173.7
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.