CID 3075768

Thieno(2,3-d)pyrimidine-2,4(1h,3h)-dione, 1-butyl-5,6-dimethyl-3-(phenylmethyl)-

Structural Information

Molecular Formula
C19H22N2O2S
SMILES
CCCCN1C2=C(C(=C(S2)C)C)C(=O)N(C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C19H22N2O2S/c1-4-5-11-20-18-16(13(2)14(3)24-18)17(22)21(19(20)23)12-15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3
InChIKey
JNYQAPXBNYFAHF-UHFFFAOYSA-N
Compound name
3-benzyl-1-butyl-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1402 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14748 182.3
[M+Na]+ 365.12942 198.5
[M+NH4]+ 360.17402 190.1
[M+K]+ 381.10336 189.4
[M-H]- 341.13292 186.1
[M+Na-2H]- 363.11487 188.7
[M]+ 342.13965 186.4
[M]- 342.14075 186.4
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.

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No patent data available for this compound.