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 173.6
[M+Na]+ 359.02832 187.4
[M-H]- 335.03182 181.8
[M+NH4]+ 354.07292 188.3
[M+K]+ 375.00226 177.7
[M+H-H2O]+ 319.03636 166.7
[M+HCOO]- 381.03730 186.7
[M+CH3COO]- 395.05295 185.4
[M+Na-2H]- 357.01377 175.5
[M]+ 336.03855 177.0
[M]- 336.03965 177.0
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