CID 481336

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

Structural Information

Molecular Formula
C22H30N2O4S
SMILES
CC(C)CN(CC(CNC1C(CC2=CC=CC=C12)O)O)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H30N2O4S/c1-16(2)14-24(29(27,28)19-9-4-3-5-10-19)15-18(25)13-23-22-20-11-7-6-8-17(20)12-21(22)26/h3-11,16,18,21-23,25-26H,12-15H2,1-2H3
InChIKey
XAOFOLJMSGFXEY-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-3-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.19263 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.19991 198.6
[M+Na]+ 441.18185 200.7
[M-H]- 417.18535 203.6
[M+NH4]+ 436.22645 210.2
[M+K]+ 457.15579 197.1
[M+H-H2O]+ 401.18989 191.4
[M+HCOO]- 463.19083 211.3
[M+CH3COO]- 477.20648 227.2
[M+Na-2H]- 439.16730 198.1
[M]+ 418.19208 200.7
[M]- 418.19318 200.7
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.