CID 16077519

5-(m-tolylsulfanyl)-6-(p-tolylsulfanyl)-1h-indole-4,7-dione

Structural Information

Molecular Formula
C22H17NO2S2
SMILES
CC1=CC=C(C=C1)SC2=C(C(=O)C3=C(C2=O)NC=C3)SC4=CC=CC(=C4)C
InChI
InChI=1S/C22H17NO2S2/c1-13-6-8-15(9-7-13)26-22-20(25)18-17(10-11-23-18)19(24)21(22)27-16-5-3-4-14(2)12-16/h3-12,23H,1-2H3
InChIKey
RZPOUASHNGTCJD-UHFFFAOYSA-N
Compound name
5-(3-methylphenyl)sulfanyl-6-(4-methylphenyl)sulfanyl-1H-indole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.07007 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.07735 190.2
[M+Na]+ 414.05929 201.0
[M-H]- 390.06279 198.7
[M+NH4]+ 409.10389 203.9
[M+K]+ 430.03323 192.0
[M+H-H2O]+ 374.06733 183.3
[M+HCOO]- 436.06827 200.4
[M+CH3COO]- 450.08392 200.3
[M+Na-2H]- 412.04474 187.8
[M]+ 391.06952 193.9
[M]- 391.07062 193.9
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.