CID 5279442

6,7-bis[(4-methoxyphenyl)sulfanyl]quinoline-5,8-dione

Structural Information

Molecular Formula
C23H17NO4S2
SMILES
COC1=CC=C(C=C1)SC2=C(C(=O)C3=C(C2=O)C=CC=N3)SC4=CC=C(C=C4)OC
InChI
InChI=1S/C23H17NO4S2/c1-27-14-5-9-16(10-6-14)29-22-20(25)18-4-3-13-24-19(18)21(26)23(22)30-17-11-7-15(28-2)8-12-17/h3-13H,1-2H3
InChIKey
KCPWAIMBCIGDDI-UHFFFAOYSA-N
Compound name
6,7-bis[(4-methoxyphenyl)sulfanyl]quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.0599 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.06718 199.3
[M+Na]+ 458.04912 208.7
[M-H]- 434.05262 208.1
[M+NH4]+ 453.09372 209.1
[M+K]+ 474.02306 201.3
[M+H-H2O]+ 418.05716 189.7
[M+HCOO]- 480.05810 209.8
[M+CH3COO]- 494.07375 208.4
[M+Na-2H]- 456.03457 200.1
[M]+ 435.05935 206.0
[M]- 435.06045 206.0
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.