CID 760034

142465-09-6

Structural Information

Molecular Formula
C18H12N2OS2
SMILES
C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=S)N3)C4=CC=CC=C4
InChI
InChI=1S/C18H12N2OS2/c21-17-15-14(12-7-3-1-4-8-12)11-23-16(15)19-18(22)20(17)13-9-5-2-6-10-13/h1-11H,(H,19,22)
InChIKey
JWFKCKHXCWRVDN-UHFFFAOYSA-N
Compound name
3,5-diphenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

336.0391 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.04638 171.1
[M+Na]+ 359.02832 189.0
[M+NH4]+ 354.07292 180.7
[M+K]+ 375.00226 177.4
[M-H]- 335.03182 177.8
[M+Na-2H]- 357.01377 181.6
[M]+ 336.03855 176.8
[M]- 336.03965 176.8
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