CID 392288

Nsc692422

Structural Information

Molecular Formula
C21H17NO3S
SMILES
C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C21H17NO3S/c23-21(16-9-3-1-4-10-16)20-15-17-11-7-8-14-19(17)22(20)26(24,25)18-12-5-2-6-13-18/h1-15,21,23H
InChIKey
FNSGKSWTHDNXBI-UHFFFAOYSA-N
Compound name
[1-(benzenesulfonyl)indol-2-yl]-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.09293 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.10021 185.2
[M+Na]+ 386.08215 194.4
[M-H]- 362.08565 194.2
[M+NH4]+ 381.12675 198.5
[M+K]+ 402.05609 188.0
[M+H-H2O]+ 346.09019 177.3
[M+HCOO]- 408.09113 201.2
[M+CH3COO]- 422.10678 195.9
[M+Na-2H]- 384.06760 188.7
[M]+ 363.09238 188.6
[M]- 363.09348 188.6
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.