CID 60109

Methyl 2-phenylthiazolidine-4-carbonyl-n-aminobutyrate hydrochloride

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]+ 309.12676 172.5
[M+Na]+ 331.10870 176.2
[M-H]- 307.11220 175.7
[M+NH4]+ 326.15330 186.8
[M+K]+ 347.08264 172.4
[M+H-H2O]+ 291.11674 164.8
[M+HCOO]- 353.11768 186.6
[M+CH3COO]- 367.13333 200.3
[M+Na-2H]- 329.09415 170.2
[M]+ 308.11893 172.1
[M]- 308.12003 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.