CID 481295

((2s)-4-{(cyclopentylmethyl)[(oxolan-3-ylmethyl)sulfonyl]amino}-2-hydroxybutyl)[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C26H44N2O7S2
SMILES
CC(C)CN(C[C@H](CCN(CC1CCCC1)S(=O)(=O)CC2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C26H44N2O7S2/c1-21(2)16-28(37(32,33)26-10-8-25(34-3)9-11-26)18-24(29)12-14-27(17-22-6-4-5-7-22)36(30,31)20-23-13-15-35-19-23/h8-11,21-24,29H,4-7,12-20H2,1-3H3/t23?,24-/m0/s1
InChIKey
YPQKAYFQDSJBHB-CGAIIQECSA-N
Compound name
N-[(2S)-4-[cyclopentylmethyl(oxolan-3-ylmethylsulfonyl)amino]-2-hydroxybutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.259 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.26628 233.5
[M+Na]+ 583.24822 230.5
[M-H]- 559.25172 241.8
[M+NH4]+ 578.29282 239.4
[M+K]+ 599.22216 230.9
[M+H-H2O]+ 543.25626 227.3
[M+HCOO]- 605.25720 238.8
[M+CH3COO]- 619.27285 250.9
[M+Na-2H]- 581.23367 230.2
[M]+ 560.25845 238.8
[M]- 560.25955 238.8
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.