CID 217178

38226-50-5

Structural Information

Molecular Formula
C20H21NO2S
SMILES
CN(C)C1=CC=C(C=C1)C(CS(=O)C2=CC3=CC=CC=C3C=C2)O
InChI
InChI=1S/C20H21NO2S/c1-21(2)18-10-7-16(8-11-18)20(22)14-24(23)19-12-9-15-5-3-4-6-17(15)13-19/h3-13,20,22H,14H2,1-2H3
InChIKey
LRRXOQACLLZTSB-UHFFFAOYSA-N
Compound name
1-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfinylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1293 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.136576 178.2
[M+Na]+ 362.118518 183.7
[M-H]- 338.122024 185.2
[M+NH4]+ 357.163123 192.4
[M+K]+ 378.092458 179.2
[M+H-H2O]+ 322.126560 170.0
[M+HCOO]- 384.127501 193.6
[M+CH3COO]- 398.143151 214.4
[M+Na-2H]- 360.103966 179.8
[M]+ 339.12875142 180.8
[M]- 339.12984858 180.8
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.