CID 365117

Nsc632180

Structural Information

Molecular Formula
C18H10N2S
SMILES
C1=CC=C2C(=C1)C(=CC=C(C#N)C#N)C3=CC=CC=C3S2
InChI
InChI=1S/C18H10N2S/c19-11-13(12-20)9-10-14-15-5-1-3-7-17(15)21-18-8-4-2-6-16(14)18/h1-10H
InChIKey
UUJRSAAUSWOCJF-UHFFFAOYSA-N
Compound name
2-(2-thioxanthen-9-ylideneethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.05646 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06374 186.5
[M+Na]+ 309.04568 198.5
[M-H]- 285.04918 190.9
[M+NH4]+ 304.09028 198.9
[M+K]+ 325.01962 187.9
[M+H-H2O]+ 269.05372 171.8
[M+HCOO]- 331.05466 192.7
[M+CH3COO]- 345.07031 192.4
[M+Na-2H]- 307.03113 186.5
[M]+ 286.05591 178.4
[M]- 286.05701 178.4
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.