CID 481296

((2s)-4-{(cyclopentylmethyl)[(1,3-dioxolan-4-ylmethyl)sulfonyl]amino}-2-hydroxybutyl)[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C25H42N2O8S2
SMILES
CC(C)CN(C[C@H](CCN(CC1CCCC1)S(=O)(=O)CC2COCO2)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H42N2O8S2/c1-20(2)14-27(37(31,32)25-10-8-23(33-3)9-11-25)16-22(28)12-13-26(15-21-6-4-5-7-21)36(29,30)18-24-17-34-19-35-24/h8-11,20-22,24,28H,4-7,12-19H2,1-3H3/t22-,24?/m0/s1
InChIKey
LTERUICQSVXOOG-OWJIYDKWSA-N
Compound name
N-[(2S)-4-[cyclopentylmethyl(1,3-dioxolan-4-ylmethylsulfonyl)amino]-2-hydroxybutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.2383 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.24558 232.2
[M+Na]+ 585.22752 229.5
[M-H]- 561.23102 241.4
[M+NH4]+ 580.27212 236.7
[M+K]+ 601.20146 231.6
[M+H-H2O]+ 545.23556 226.6
[M+HCOO]- 607.23650 237.5
[M+CH3COO]- 621.25215 250.8
[M+Na-2H]- 583.21297 230.5
[M]+ 562.23775 238.9
[M]- 562.23885 238.9
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.