CID 2432626

132605-23-3

Structural Information

Molecular Formula
C13H10N2OS2
SMILES
CN1C(=O)C2=C(NC1=S)SC=C2C3=CC=CC=C3
InChI
InChI=1S/C13H10N2OS2/c1-15-12(16)10-9(8-5-3-2-4-6-8)7-18-11(10)14-13(15)17/h2-7H,1H3,(H,14,17)
InChIKey
ZHWXXZDMBRWWAN-UHFFFAOYSA-N
Compound name
3-methyl-5-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.02347 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.03075 157.1
[M+Na]+ 297.01269 173.0
[M+NH4]+ 292.05729 166.4
[M+K]+ 312.98663 162.9
[M-H]- 273.01619 161.2
[M+Na-2H]- 294.99814 164.4
[M]+ 274.02292 161.7
[M]- 274.02402 161.7
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