CID 695714

59898-64-5

Structural Information

Molecular Formula
C14H12N2OS2
SMILES
CC1=C(SC2=C1C(=O)N(C(=S)N2)C3=CC=CC=C3)C
InChI
InChI=1S/C14H12N2OS2/c1-8-9(2)19-12-11(8)13(17)16(14(18)15-12)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,18)
InChIKey
BRIBZHXSWJHTQD-UHFFFAOYSA-N
Compound name
5,6-dimethyl-3-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.0391 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04638 162.5
[M+Na]+ 311.02832 178.4
[M+NH4]+ 306.07292 171.5
[M+K]+ 327.00226 168.2
[M-H]- 287.03182 166.5
[M+Na-2H]- 309.01377 169.2
[M]+ 288.03855 167.0
[M]- 288.03965 167.0
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.