CID 481173

{3-[((1s)-2-hydroxyindanyl)amino]-2-hydroxypropyl}[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C23H32N2O5S
SMILES
CC(C)CN(CC(CN[C@@H]1C(CC2=CC=CC=C12)O)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H32N2O5S/c1-16(2)14-25(31(28,29)20-10-8-19(30-3)9-11-20)15-18(26)13-24-23-21-7-5-4-6-17(21)12-22(23)27/h4-11,16,18,22-24,26-27H,12-15H2,1-3H3/t18?,22?,23-/m0/s1
InChIKey
JHOQCEXGCCCLNT-CKRJSAQMSA-N
Compound name
N-[2-hydroxy-3-[[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]propyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.2032 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.21048 205.7
[M+Na]+ 471.19242 207.7
[M-H]- 447.19592 210.7
[M+NH4]+ 466.23702 216.1
[M+K]+ 487.16636 204.9
[M+H-H2O]+ 431.20046 198.4
[M+HCOO]- 493.20140 218.1
[M+CH3COO]- 507.21705 233.6
[M+Na-2H]- 469.17787 204.5
[M]+ 448.20265 209.9
[M]- 448.20375 209.9
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.