CID 477335

N-[3-((s)-3-allyl-5-benzyl-2-oxo-imidazolidin-1-yl)-2-hydroxy-propyl]-n-cyclopentylmethyl-4-methoxy-benzenesulfonamide

Structural Information

Molecular Formula
C29H39N3O5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3[C@H](CN(C3=O)CC=C)CC4=CC=CC=C4)O
InChI
InChI=1S/C29H39N3O5S/c1-3-17-30-20-25(18-23-9-5-4-6-10-23)32(29(30)34)22-26(33)21-31(19-24-11-7-8-12-24)38(35,36)28-15-13-27(37-2)14-16-28/h3-6,9-10,13-16,24-26,33H,1,7-8,11-12,17-22H2,2H3/t25-,26?/m0/s1
InChIKey
HNXIHGLBPFUUIC-PMCHYTPCSA-N
Compound name
N-[3-[(5S)-5-benzyl-2-oxo-3-prop-2-enylimidazolidin-1-yl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.26105 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.26833 231.2
[M+Na]+ 564.25027 231.9
[M-H]- 540.25377 240.2
[M+NH4]+ 559.29487 236.3
[M+K]+ 580.22421 227.4
[M+H-H2O]+ 524.25831 221.8
[M+HCOO]- 586.25925 240.8
[M+CH3COO]- 600.27490 247.3
[M+Na-2H]- 562.23572 223.5
[M]+ 541.26050 233.2
[M]- 541.26160 233.2
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.