CID 481346

{2-hydroxy-3-[(2-methylpropyl)(phenylsulfonyl)amino]propyl}(2-methylpropyl)(phenylsulfonyl)amine

Structural Information

Molecular Formula
C23H34N2O5S2
SMILES
CC(C)CN(CC(CN(CC(C)C)S(=O)(=O)C1=CC=CC=C1)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C23H34N2O5S2/c1-19(2)15-24(31(27,28)22-11-7-5-8-12-22)17-21(26)18-25(16-20(3)4)32(29,30)23-13-9-6-10-14-23/h5-14,19-21,26H,15-18H2,1-4H3
InChIKey
XREJANMUTSMYPG-UHFFFAOYSA-N
Compound name
N-[3-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxypropyl]-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.19092 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.19820 212.5
[M+Na]+ 505.18014 212.3
[M-H]- 481.18364 217.6
[M+NH4]+ 500.22474 219.1
[M+K]+ 521.15408 209.4
[M+H-H2O]+ 465.18818 203.2
[M+HCOO]- 527.18912 219.9
[M+CH3COO]- 541.20477 240.4
[M+Na-2H]- 503.16559 212.4
[M]+ 482.19037 217.9
[M]- 482.19147 217.9
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.