CID 506827

2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol

Structural Information

Molecular Formula
C17H17NO3S
SMILES
CC(C)(C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C17H17NO3S/c1-17(2,19)15-12-18(16-11-7-6-10-14(15)16)22(20,21)13-8-4-3-5-9-13/h3-12,19H,1-2H3
InChIKey
SKPXCCCAZXYYLS-UHFFFAOYSA-N
Compound name
2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.09293 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10021 173.9
[M+Na]+ 338.08215 184.3
[M-H]- 314.08565 180.1
[M+NH4]+ 333.12675 190.1
[M+K]+ 354.05609 179.1
[M+H-H2O]+ 298.09019 167.7
[M+HCOO]- 360.09113 189.4
[M+CH3COO]- 374.10678 199.9
[M+Na-2H]- 336.06760 179.2
[M]+ 315.09238 178.8
[M]- 315.09348 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.