CID 472336

(4s)-3-(3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-1-methyl-4-benzylimidazolidin-2-one

Structural Information

Molecular Formula
C27H37N3O5S
SMILES
CN1C[C@@H](N(C1=O)CC(CN(CC2CCCC2)S(=O)(=O)C3=CC=C(C=C3)OC)O)CC4=CC=CC=C4
InChI
InChI=1S/C27H37N3O5S/c1-28-18-23(16-21-8-4-3-5-9-21)30(27(28)32)20-24(31)19-29(17-22-10-6-7-11-22)36(33,34)26-14-12-25(35-2)13-15-26/h3-5,8-9,12-15,22-24,31H,6-7,10-11,16-20H2,1-2H3/t23-,24?/m0/s1
InChIKey
NOOQUGLFTRKUHH-UXMRNZNESA-N
Compound name
N-[3-[(5S)-5-benzyl-3-methyl-2-oxoimidazolidin-1-yl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.2454 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.25268 223.4
[M+Na]+ 538.23462 224.9
[M-H]- 514.23812 232.9
[M+NH4]+ 533.27922 229.8
[M+K]+ 554.20856 221.4
[M+H-H2O]+ 498.24266 214.4
[M+HCOO]- 560.24360 233.6
[M+CH3COO]- 574.25925 242.3
[M+Na-2H]- 536.22007 216.7
[M]+ 515.24485 225.7
[M]- 515.24595 225.7
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.