CID 722257

51486-16-9

Structural Information

Molecular Formula
C11H12N2OS2
SMILES
CC1=C(SC2=C1C(=O)N(C(=S)N2)CC=C)C
InChI
InChI=1S/C11H12N2OS2/c1-4-5-13-10(14)8-6(2)7(3)16-9(8)12-11(13)15/h4H,1,5H2,2-3H3,(H,12,15)
InChIKey
UIDZXXIBHNLIGD-UHFFFAOYSA-N
Compound name
5,6-dimethyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.03911 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04639 150.3
[M+Na]+ 275.02833 164.7
[M-H]- 251.03183 152.6
[M+NH4]+ 270.07293 169.3
[M+K]+ 291.00227 157.0
[M+H-H2O]+ 235.03637 145.6
[M+HCOO]- 297.03731 162.2
[M+CH3COO]- 311.05296 163.4
[M+Na-2H]- 273.01378 149.7
[M]+ 252.03856 155.8
[M]- 252.03966 155.8
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.