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]+ 309.12676 172.3
[M+Na]+ 331.10870 180.0
[M+NH4]+ 326.15330 178.4
[M+K]+ 347.08264 176.4
[M-H]- 307.11220 173.4
[M+Na-2H]- 329.09415 175.5
[M]+ 308.11893 173.8
[M]- 308.12003 173.8
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.