CID 3085533

71566-79-5

Structural Information

Molecular Formula
C30H17Cl2NO3S2
SMILES
C1=CC=C(C=C1)SC2=C(C3=C(C(=O)C(C3=O)C4=NC5=CC=CC=C5C=C4O)C(=C2SC6=CC=CC=C6)Cl)Cl
InChI
InChI=1S/C30H17Cl2NO3S2/c31-24-21-22(28(36)23(27(21)35)26-20(34)15-16-9-7-8-14-19(16)33-26)25(32)30(38-18-12-5-2-6-13-18)29(24)37-17-10-3-1-4-11-17/h1-15,23,34H
InChIKey
MTOBNRIETHBHBT-UHFFFAOYSA-N
Compound name
4,7-dichloro-2-(3-hydroxyquinolin-2-yl)-5,6-bis(phenylsulfanyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.0027 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.00998 231.4
[M+Na]+ 595.99192 251.6
[M+NH4]+ 591.03652 241.0
[M+K]+ 611.96586 236.9
[M-H]- 571.99542 240.9
[M+Na-2H]- 593.97737 240.9
[M]+ 573.00215 239.0
[M]- 573.00325 239.0
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.