CID 16077520

Chembl388465

Structural Information

Molecular Formula
C24H21NO2S2
SMILES
CC1=C(C=C(C=C1)SC2=C(C(=O)C3=C(C2=O)C=CN3)SC4=CC(=C(C=C4)C)C)C
InChI
InChI=1S/C24H21NO2S2/c1-13-5-7-17(11-15(13)3)28-23-21(26)19-9-10-25-20(19)22(27)24(23)29-18-8-6-14(2)16(4)12-18/h5-12,25H,1-4H3
InChIKey
CWMNKKWKWMDZPI-UHFFFAOYSA-N
Compound name
5,6-bis[(3,4-dimethylphenyl)sulfanyl]-1H-indole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.10138 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.10866 198.3
[M+Na]+ 442.09060 209.5
[M-H]- 418.09410 207.0
[M+NH4]+ 437.13520 211.2
[M+K]+ 458.06454 200.3
[M+H-H2O]+ 402.09864 191.4
[M+HCOO]- 464.09958 207.6
[M+CH3COO]- 478.11523 208.1
[M+Na-2H]- 440.07605 193.8
[M]+ 419.10083 203.4
[M]- 419.10193 203.4
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.