CID 3075761

203808-33-7

Structural Information

Molecular Formula
C14H18N2O2S
SMILES
CC1=C(SC2=C1C(=O)N(C(=O)N2)C3CCCCC3)C
InChI
InChI=1S/C14H18N2O2S/c1-8-9(2)19-12-11(8)13(17)16(14(18)15-12)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,15,18)
InChIKey
HWBROHQCIVZOMO-UHFFFAOYSA-N
Compound name
3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1089 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11618 161.6
[M+Na]+ 301.09812 172.5
[M-H]- 277.10162 166.3
[M+NH4]+ 296.14272 178.6
[M+K]+ 317.07206 166.6
[M+H-H2O]+ 261.10616 155.0
[M+HCOO]- 323.10710 175.4
[M+CH3COO]- 337.12275 173.5
[M+Na-2H]- 299.08357 161.2
[M]+ 278.10835 162.7
[M]- 278.10945 162.7
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

No patent data available for this compound.