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 160.1
[M+Na]+ 311.02832 174.8
[M-H]- 287.03182 165.8
[M+NH4]+ 306.07292 177.5
[M+K]+ 327.00226 166.4
[M+H-H2O]+ 271.03636 154.5
[M+HCOO]- 333.03730 172.8
[M+CH3COO]- 347.05295 173.1
[M+Na-2H]- 309.01377 160.7
[M]+ 288.03855 165.1
[M]- 288.03965 165.1
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.