CID 743434

300557-77-1

Structural Information

Molecular Formula
C15H12N2OS2
SMILES
C1CC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C4=CC=CC=C4
InChI
InChI=1S/C15H12N2OS2/c18-14-12-10-7-4-8-11(10)20-13(12)16-15(19)17(14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,16,19)
InChIKey
LLFBYHAEKFMVIS-UHFFFAOYSA-N
Compound name
11-phenyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0391 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.04638 163.2
[M+Na]+ 323.02832 177.8
[M+NH4]+ 318.07292 173.0
[M+K]+ 339.00226 169.3
[M-H]- 299.03182 167.3
[M+Na-2H]- 321.01377 169.0
[M]+ 300.03855 167.5
[M]- 300.03965 167.5
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.