CID 5279429

102183-15-3

Structural Information

Molecular Formula
C21H13NO2S2
SMILES
C1=CC=C(C=C1)SC2=C(C(=O)C3=C(C2=O)C=CC=N3)SC4=CC=CC=C4
InChI
InChI=1S/C21H13NO2S2/c23-18-16-12-7-13-22-17(16)19(24)21(26-15-10-5-2-6-11-15)20(18)25-14-8-3-1-4-9-14/h1-13H
InChIKey
GQMQXCVRWWTFLN-UHFFFAOYSA-N
Compound name
6,7-bis(phenylsulfanyl)quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

375.03876 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.04604 183.5
[M+Na]+ 398.02798 193.3
[M-H]- 374.03148 192.3
[M+NH4]+ 393.07258 195.7
[M+K]+ 414.00192 184.8
[M+H-H2O]+ 358.03602 174.6
[M+HCOO]- 420.03696 194.6
[M+CH3COO]- 434.05261 193.6
[M+Na-2H]- 396.01343 186.1
[M]+ 375.03821 186.2
[M]- 375.03931 186.2
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.