CID 472340

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

Structural Information

Molecular Formula
C29H40N2O5S
SMILES
CC1(C[C@@H](N(C1=O)CC(CN(CC2CCCC2)S(=O)(=O)C3=CC=C(C=C3)OC)O)CC4=CC=CC=C4)C
InChI
InChI=1S/C29H40N2O5S/c1-29(2)18-24(17-22-9-5-4-6-10-22)31(28(29)33)21-25(32)20-30(19-23-11-7-8-12-23)37(34,35)27-15-13-26(36-3)14-16-27/h4-6,9-10,13-16,23-25,32H,7-8,11-12,17-21H2,1-3H3/t24-,25?/m0/s1
InChIKey
YUNXFSKBEFJWJS-SKCDSABHSA-N
Compound name
N-[3-[(5S)-5-benzyl-3,3-dimethyl-2-oxopyrrolidin-1-yl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.2658 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.27308 227.7
[M+Na]+ 551.25502 229.3
[M-H]- 527.25852 238.0
[M+NH4]+ 546.29962 236.9
[M+K]+ 567.22896 225.9
[M+H-H2O]+ 511.26306 219.8
[M+HCOO]- 573.26400 238.4
[M+CH3COO]- 587.27965 244.9
[M+Na-2H]- 549.24047 221.8
[M]+ 528.26525 230.6
[M]- 528.26635 230.6
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.