CID 481278

((2s)-4-{[(dimethylamino)sulfonyl](2-methylpropyl)amino}-2-hydroxybutyl)[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C21H39N3O6S2
SMILES
CC(C)CN(CC[C@@H](CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)OC)O)S(=O)(=O)N(C)C
InChI
InChI=1S/C21H39N3O6S2/c1-17(2)14-23(32(28,29)22(5)6)13-12-19(25)16-24(15-18(3)4)31(26,27)21-10-8-20(30-7)9-11-21/h8-11,17-19,25H,12-16H2,1-7H3/t19-/m0/s1
InChIKey
BOYNPOMJOAHEPN-IBGZPJMESA-N
Compound name
N-[(2S)-4-[dimethylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.22803 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.23531 214.2
[M+Na]+ 516.21725 213.0
[M-H]- 492.22075 217.4
[M+NH4]+ 511.26185 221.0
[M+K]+ 532.19119 212.8
[M+H-H2O]+ 476.22529 205.0
[M+HCOO]- 538.22623 221.9
[M+CH3COO]- 552.24188 250.0
[M+Na-2H]- 514.20270 212.5
[M]+ 493.22748 223.4
[M]- 493.22858 223.4
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.