CID 350280

6813-37-2

Structural Information

Molecular Formula
C16H10N2S2
SMILES
C1=CC=C2C(=C1)C(=NC2=S)C3=C4C=CC=CC4=C(N3)S
InChI
InChI=1S/C16H10N2S2/c19-15-11-7-3-1-5-9(11)13(17-15)14-10-6-2-4-8-12(10)16(20)18-14/h1-8,17,19H
InChIKey
ARTGKJZDUGPTIV-UHFFFAOYSA-N
Compound name
3-(3-sulfanyl-2H-isoindol-1-yl)isoindole-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

294.02853 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.03581 163.5
[M+Na]+ 317.01775 178.6
[M-H]- 293.02125 170.4
[M+NH4]+ 312.06235 183.6
[M+K]+ 332.99169 170.6
[M+H-H2O]+ 277.02579 159.2
[M+HCOO]- 339.02673 176.6
[M+CH3COO]- 353.04238 176.8
[M+Na-2H]- 315.00320 164.1
[M]+ 294.02798 168.8
[M]- 294.02908 168.8
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

patents stripe