CID 301342

40899-88-5

Structural Information

Molecular Formula
C23H21NO4S
SMILES
CC(C1=CC=C(C=C1)OC)(C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C23H21NO4S/c1-23(25,18-12-14-19(28-2)15-13-18)22-16-17-8-6-7-11-21(17)24(22)29(26,27)20-9-4-3-5-10-20/h3-16,25H,1-2H3
InChIKey
LMAXZUINPRFWGS-UHFFFAOYSA-N
Compound name
1-[1-(benzenesulfonyl)indol-2-yl]-1-(4-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.11914 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.12642 198.7
[M+Na]+ 430.10836 208.1
[M-H]- 406.11186 207.9
[M+NH4]+ 425.15296 210.5
[M+K]+ 446.08230 202.3
[M+H-H2O]+ 390.11640 190.8
[M+HCOO]- 452.11734 213.6
[M+CH3COO]- 466.13299 217.2
[M+Na-2H]- 428.09381 203.1
[M]+ 407.11859 204.6
[M]- 407.11969 204.6
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.