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]+ 289.046376 160.1
[M+Na]+ 311.028318 174.8
[M-H]- 287.031824 165.8
[M+NH4]+ 306.072923 177.5
[M+K]+ 327.002258 166.4
[M+H-H2O]+ 271.036360 154.5
[M+HCOO]- 333.037301 172.8
[M+CH3COO]- 347.052951 173.1
[M+Na-2H]- 309.013766 160.7
[M]+ 288.03855142 165.1
[M]- 288.03964858 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.