CID 481348

4-[({2-hydroxy-3-[(2-methylpropyl)(phenylsulfonyl)amino]propyl}(2-methylpropyl)amino)sulfonyl]phenol

Structural Information

Molecular Formula
C23H34N2O6S2
SMILES
CC(C)CN(CC(CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)O)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C23H34N2O6S2/c1-18(2)14-24(32(28,29)22-8-6-5-7-9-22)16-21(27)17-25(15-19(3)4)33(30,31)23-12-10-20(26)11-13-23/h5-13,18-19,21,26-27H,14-17H2,1-4H3
InChIKey
MKOOPYXAZYOFDA-UHFFFAOYSA-N
Compound name
N-[3-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxypropyl]-4-hydroxy-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.18582 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.19310 213.9
[M+Na]+ 521.17504 213.5
[M-H]- 497.17854 217.7
[M+NH4]+ 516.21964 219.2
[M+K]+ 537.14898 210.8
[M+H-H2O]+ 481.18308 204.9
[M+HCOO]- 543.18402 219.9
[M+CH3COO]- 557.19967 241.6
[M+Na-2H]- 519.16049 213.6
[M]+ 498.18527 219.2
[M]- 498.18637 219.2
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.