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 162.3
[M+Na]+ 317.01775 178.2
[M+NH4]+ 312.06235 173.0
[M+K]+ 332.99169 168.8
[M-H]- 293.02125 167.4
[M+Na-2H]- 315.00320 169.3
[M]+ 294.02798 167.2
[M]- 294.02908 167.2
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