CID 60109

106086-23-1

Structural Information

Molecular Formula
C15H20N2O3S
SMILES
COC(=O)CCCNC(=O)C1CSC(N1)C2=CC=CC=C2
InChI
InChI=1S/C15H20N2O3S/c1-20-13(18)8-5-9-16-14(19)12-10-21-15(17-12)11-6-3-2-4-7-11/h2-4,6-7,12,15,17H,5,8-10H2,1H3,(H,16,19)
InChIKey
RDJQNQQRRCKDEK-UHFFFAOYSA-N
Compound name
methyl 4-[(2-phenyl-1,3-thiazolidine-4-carbonyl)amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.11948 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.126756 172.5
[M+Na]+ 331.108698 176.2
[M-H]- 307.112204 175.7
[M+NH4]+ 326.153303 186.8
[M+K]+ 347.082638 172.4
[M+H-H2O]+ 291.116740 164.8
[M+HCOO]- 353.117681 186.6
[M+CH3COO]- 367.133331 200.3
[M+Na-2H]- 329.094146 170.2
[M]+ 308.11893142 172.1
[M]- 308.12002858 172.1
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.