CID 481373

(2-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butyl)(2-methylpropyl)(phenylsulfonyl)amine

Structural Information

Molecular Formula
C25H38N2O6S2
SMILES
CC(C)CN(CCC(CN(CC(C)C)S(=O)(=O)C1=CC=CC=C1)O)S(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C25H38N2O6S2/c1-20(2)17-26(34(29,30)25-13-11-23(33-5)12-14-25)16-15-22(28)19-27(18-21(3)4)35(31,32)24-9-7-6-8-10-24/h6-14,20-22,28H,15-19H2,1-5H3
InChIKey
GETHIGJTQNPATD-UHFFFAOYSA-N
Compound name
N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxybutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.2171 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.22438 223.0
[M+Na]+ 549.20632 222.2
[M-H]- 525.20982 227.8
[M+NH4]+ 544.25092 227.8
[M+K]+ 565.18026 219.8
[M+H-H2O]+ 509.21436 213.3
[M+HCOO]- 571.21530 229.8
[M+CH3COO]- 585.23095 249.3
[M+Na-2H]- 547.19177 222.1
[M]+ 526.21655 230.7
[M]- 526.21765 230.7
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.