CID 343196

Nsc382299

Structural Information

Molecular Formula
C22H16O4S2
SMILES
C1C2(C(=C(C2=O)O)C3=CC=CC=C3)SCC4(S1)C(=C(C4=O)O)C5=CC=CC=C5
InChI
InChI=1S/C22H16O4S2/c23-17-15(13-7-3-1-4-8-13)21(19(17)25)11-28-22(12-27-21)16(18(24)20(22)26)14-9-5-2-6-10-14/h1-10,23-24H,11-12H2
InChIKey
ODTMCQFJRBEHHM-UHFFFAOYSA-N
Compound name
2,9-dihydroxy-1,8-diphenyl-6,12-dithiadispiro[3.2.37.24]dodeca-1,8-diene-3,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.049 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.05628 172.7
[M+Na]+ 431.03822 176.0
[M-H]- 407.04172 180.5
[M+NH4]+ 426.08282 173.4
[M+K]+ 447.01216 175.8
[M+H-H2O]+ 391.04626 154.7
[M+HCOO]- 453.04720 177.9
[M+CH3COO]- 467.06285 179.6
[M+Na-2H]- 429.02367 174.2
[M]+ 408.04845 188.2
[M]- 408.04955 188.2
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.