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]+ 287.08488 162.9
[M+Na]+ 309.06682 176.5
[M-H]- 285.07032 168.7
[M+NH4]+ 304.11142 179.8
[M+K]+ 325.04076 169.6
[M+H-H2O]+ 269.07486 156.0
[M+HCOO]- 331.07580 180.7
[M+CH3COO]- 345.09145 176.0
[M+Na-2H]- 307.05227 164.8
[M]+ 286.07705 168.5
[M]- 286.07815 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.