CID 15959329

2-(benzenesulfinyl)-3-(4-methoxyphenyl)sulfanyl-naphthalene-1,4-diol

Structural Information

Molecular Formula
C23H18O4S2
SMILES
COC1=CC=C(C=C1)SC2=C(C3=CC=CC=C3C(=C2S(=O)C4=CC=CC=C4)O)O
InChI
InChI=1S/C23H18O4S2/c1-27-15-11-13-16(14-12-15)28-22-20(24)18-9-5-6-10-19(18)21(25)23(22)29(26)17-7-3-2-4-8-17/h2-14,24-25H,1H3
InChIKey
IXSXPTYFJRXZCM-UHFFFAOYSA-N
Compound name
2-(benzenesulfinyl)-3-(4-methoxyphenyl)sulfanylnaphthalene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.06464 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.07192 193.4
[M+Na]+ 445.05386 201.3
[M-H]- 421.05736 200.9
[M+NH4]+ 440.09846 203.5
[M+K]+ 461.02780 193.7
[M+H-H2O]+ 405.06190 185.2
[M+HCOO]- 467.06284 202.4
[M+CH3COO]- 481.07849 202.0
[M+Na-2H]- 443.03931 194.6
[M]+ 422.06409 197.5
[M]- 422.06519 197.5
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.