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 164.5
[M+Na]+ 323.02832 178.9
[M-H]- 299.03182 171.1
[M+NH4]+ 318.07292 184.2
[M+K]+ 339.00226 171.3
[M+H-H2O]+ 283.03636 160.3
[M+HCOO]- 345.03730 176.8
[M+CH3COO]- 359.05295 177.4
[M+Na-2H]- 321.01377 164.9
[M]+ 300.03855 168.8
[M]- 300.03965 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

literature stripe

Patent stripe

No patent data available for this compound.