CID 481274

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

Structural Information

Molecular Formula
C26H40N2O7S2
SMILES
CC(C)CN(CC[C@@H](CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)OC)O)S(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C26H40N2O7S2/c1-20(2)17-27(36(30,31)25-11-7-23(34-5)8-12-25)16-15-22(29)19-28(18-21(3)4)37(32,33)26-13-9-24(35-6)10-14-26/h7-14,20-22,29H,15-19H2,1-6H3/t22-/m0/s1
InChIKey
PMHVQTYPNQWNEK-QFIPXVFZSA-N
Compound name
N-[(3S)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.2277 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.23498 229.1
[M+Na]+ 579.21692 228.1
[M-H]- 555.22042 233.9
[M+NH4]+ 574.26152 232.8
[M+K]+ 595.19086 226.4
[M+H-H2O]+ 539.22496 219.3
[M+HCOO]- 601.22590 235.7
[M+CH3COO]- 615.24155 255.4
[M+Na-2H]- 577.20237 227.9
[M]+ 556.22715 238.8
[M]- 556.22825 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.