CID 477393

3-[3-((r)-5-benzyl-2-oxo-3-propyl-pyrrolidin-1-yl)-2-oxo-propanoyl]-thiazolidine-4-carboxylic acid tert-butylamide

Structural Information

Molecular Formula
C25H35N3O4S
SMILES
CCCC1C[C@@H](N(C1=O)CC(=O)C(=O)N2CSCC2C(=O)NC(C)(C)C)CC3=CC=CC=C3
InChI
InChI=1S/C25H35N3O4S/c1-5-9-18-13-19(12-17-10-7-6-8-11-17)27(23(18)31)14-21(29)24(32)28-16-33-15-20(28)22(30)26-25(2,3)4/h6-8,10-11,18-20H,5,9,12-16H2,1-4H3,(H,26,30)/t18?,19-,20?/m0/s1
InChIKey
IMIHOOSLXGRJGT-GPJFCIFZSA-N
Compound name
3-[3-[(5R)-5-benzyl-2-oxo-3-propylpyrrolidin-1-yl]-2-oxopropanoyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.23483 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.24211 218.2
[M+Na]+ 496.22405 219.9
[M-H]- 472.22755 224.6
[M+NH4]+ 491.26865 227.1
[M+K]+ 512.19799 216.3
[M+H-H2O]+ 456.23209 210.6
[M+HCOO]- 518.23303 226.7
[M+CH3COO]- 532.24868 236.4
[M+Na-2H]- 494.20950 208.9
[M]+ 473.23428 219.5
[M]- 473.23538 219.5
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.