CID 217183

38226-56-1

Structural Information

Molecular Formula
C23H19NO2S
SMILES
C1=CC=C(C=C1)C(CS(=O)C2=CC3=CC=CC=C3C=C2)(C4=CN=CC=C4)O
InChI
InChI=1S/C23H19NO2S/c25-23(20-9-2-1-3-10-20,21-11-6-14-24-16-21)17-27(26)22-13-12-18-7-4-5-8-19(18)15-22/h1-16,25H,17H2
InChIKey
HQBFRSMSWHFQOG-UHFFFAOYSA-N
Compound name
2-naphthalen-2-ylsulfinyl-1-phenyl-1-pyridin-3-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.11365 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12093 187.5
[M+Na]+ 396.10287 193.8
[M-H]- 372.10637 194.6
[M+NH4]+ 391.14747 197.9
[M+K]+ 412.07681 186.5
[M+H-H2O]+ 356.11091 178.0
[M+HCOO]- 418.11185 200.1
[M+CH3COO]- 432.12750 196.3
[M+Na-2H]- 394.08832 192.8
[M]+ 373.11310 187.8
[M]- 373.11420 187.8
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.