CID 477339

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

Structural Information

Molecular Formula
C30H40N2O5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3[C@H](CC(C3=O)CC=C)CC4=CC=CC=C4)O
InChI
InChI=1S/C30H40N2O5S/c1-3-9-25-19-26(18-23-10-5-4-6-11-23)32(30(25)34)22-27(33)21-31(20-24-12-7-8-13-24)38(35,36)29-16-14-28(37-2)15-17-29/h3-6,10-11,14-17,24-27,33H,1,7-9,12-13,18-22H2,2H3/t25?,26-,27?/m0/s1
InChIKey
SQMCQACIDDAOKW-QLLQDVQFSA-N
Compound name
N-[3-[(5R)-5-benzyl-2-oxo-3-prop-2-enylpyrrolidin-1-yl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.2658 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.27308 232.7
[M+Na]+ 563.25502 233.0
[M-H]- 539.25852 242.7
[M+NH4]+ 558.29962 239.2
[M+K]+ 579.22896 228.5
[M+H-H2O]+ 523.26306 223.9
[M+HCOO]- 585.26400 243.2
[M+CH3COO]- 599.27965 247.6
[M+Na-2H]- 561.24047 224.5
[M]+ 540.26525 234.6
[M]- 540.26635 234.6
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.