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]+ 340.13658 178.2
[M+Na]+ 362.11852 183.7
[M-H]- 338.12202 185.2
[M+NH4]+ 357.16312 192.4
[M+K]+ 378.09246 179.2
[M+H-H2O]+ 322.12656 170.0
[M+HCOO]- 384.12750 193.6
[M+CH3COO]- 398.14315 214.4
[M+Na-2H]- 360.10397 179.8
[M]+ 339.12875 180.8
[M]- 339.12985 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.