CID 472338

(5r)-1-(3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-5-benzylpyrrolidin-2-one

Structural Information

Molecular Formula
C27H36N2O5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3[C@H](CCC3=O)CC4=CC=CC=C4)O
InChI
InChI=1S/C27H36N2O5S/c1-34-25-12-14-26(15-13-25)35(32,33)28(18-22-9-5-6-10-22)19-24(30)20-29-23(11-16-27(29)31)17-21-7-3-2-4-8-21/h2-4,7-8,12-15,22-24,30H,5-6,9-11,16-20H2,1H3/t23-,24?/m1/s1
InChIKey
GYKAEPPPRAJRAN-MIHMCVIASA-N
Compound name
N-[3-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.2345 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.24178 220.6
[M+Na]+ 523.22372 221.4
[M-H]- 499.22722 230.9
[M+NH4]+ 518.26832 228.7
[M+K]+ 539.19766 217.9
[M+H-H2O]+ 483.23176 212.1
[M+HCOO]- 545.23270 232.1
[M+CH3COO]- 559.24835 238.4
[M+Na-2H]- 521.20917 214.4
[M]+ 500.23395 222.0
[M]- 500.23505 222.0
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.