CID 3075762

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

Structural Information

Molecular Formula
C15H14N2O2S
SMILES
CC1=C(SC2=C1C(=O)N(C(=O)N2)CC3=CC=CC=C3)C
InChI
InChI=1S/C15H14N2O2S/c1-9-10(2)20-13-12(9)14(18)17(15(19)16-13)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,19)
InChIKey
XFAKEDFZWSPMBV-UHFFFAOYSA-N
Compound name
3-benzyl-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

286.0776 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.084876 162.9
[M+Na]+ 309.066818 176.5
[M-H]- 285.070324 168.7
[M+NH4]+ 304.111423 179.8
[M+K]+ 325.040758 169.6
[M+H-H2O]+ 269.074860 156.0
[M+HCOO]- 331.075801 180.7
[M+CH3COO]- 345.091451 176.0
[M+Na-2H]- 307.052266 164.8
[M]+ 286.07705142 168.5
[M]- 286.07814858 168.5
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.