CID 481282

((2s)-4-{[(tert-butyl)sulfonyl](cyclopentylmethyl)amino}-2-hydroxybutyl)[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C25H44N2O6S2
SMILES
CC(C)CN(C[C@H](CCN(CC1CCCC1)S(=O)(=O)C(C)(C)C)O)S(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C25H44N2O6S2/c1-20(2)17-27(34(29,30)24-13-11-23(33-6)12-14-24)19-22(28)15-16-26(18-21-9-7-8-10-21)35(31,32)25(3,4)5/h11-14,20-22,28H,7-10,15-19H2,1-6H3/t22-/m0/s1
InChIKey
ZNWYVNOVMNGRLA-QFIPXVFZSA-N
Compound name
N-[(2S)-4-[tert-butylsulfonyl(cyclopentylmethyl)amino]-2-hydroxybutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.2641 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.27138 226.5
[M+Na]+ 555.25332 224.6
[M-H]- 531.25682 231.1
[M+NH4]+ 550.29792 233.4
[M+K]+ 571.22726 223.3
[M+H-H2O]+ 515.26136 219.1
[M+HCOO]- 577.26230 231.2
[M+CH3COO]- 591.27795 248.7
[M+Na-2H]- 553.23877 225.1
[M]+ 532.26355 232.9
[M]- 532.26465 232.9
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.