CID 481285

{(2s)-4-[(cyclopentylmethyl)(2h-3,4,5,6-tetrahydropyran-3-ylsulfonyl)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)C2CCCOC2)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C26H44N2O7S2/c1-21(2)17-28(36(30,31)25-12-10-24(34-3)11-13-25)19-23(29)14-15-27(18-22-7-4-5-8-22)37(32,33)26-9-6-16-35-20-26/h10-13,21-23,26,29H,4-9,14-20H2,1-3H3/t23-,26?/m0/s1
InChIKey
QQIQNZVFMMDNGM-ZZHFZYNASA-N
Compound name
N-(cyclopentylmethyl)-N-[(3S)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butyl]oxane-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.259 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.26628 229.3
[M+Na]+ 583.24822 225.2
[M-H]- 559.25172 236.5
[M+NH4]+ 578.29282 233.0
[M+K]+ 599.22216 225.2
[M+H-H2O]+ 543.25626 221.7
[M+HCOO]- 605.25720 232.4
[M+CH3COO]- 619.27285 251.8
[M+Na-2H]- 581.23367 227.5
[M]+ 560.25845 232.2
[M]- 560.25955 232.2
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.