CID 472337

(4s)-1,4-bisbenzyl-3-(3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)imidazolidin-2-one

Structural Information

Molecular Formula
C33H41N3O5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3[C@H](CN(C3=O)CC4=CC=CC=C4)CC5=CC=CC=C5)O
InChI
InChI=1S/C33H41N3O5S/c1-41-31-16-18-32(19-17-31)42(39,40)35(22-28-14-8-9-15-28)24-30(37)25-36-29(20-26-10-4-2-5-11-26)23-34(33(36)38)21-27-12-6-3-7-13-27/h2-7,10-13,16-19,28-30,37H,8-9,14-15,20-25H2,1H3/t29-,30?/m0/s1
InChIKey
QDVMDNFXXGZRDY-UFXYQILXSA-N
Compound name
N-(cyclopentylmethyl)-N-[3-[(5S)-3,5-dibenzyl-2-oxoimidazolidin-1-yl]-2-hydroxypropyl]-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

591.2767 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.28398 240.4
[M+Na]+ 614.26592 240.1
[M-H]- 590.26942 252.2
[M+NH4]+ 609.31052 242.8
[M+K]+ 630.23986 235.6
[M+H-H2O]+ 574.27396 229.9
[M+HCOO]- 636.27490 249.8
[M+CH3COO]- 650.29055 255.3
[M+Na-2H]- 612.25137 233.2
[M]+ 591.27615 241.7
[M]- 591.27725 241.7
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.