CID 3844906

2-(1-chloroethyl)-5,6-dimethyl-3h,4h-thieno[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C10H11ClN2OS
SMILES
CC1=C(SC2=C1C(=O)NC(=N2)C(C)Cl)C
InChI
InChI=1S/C10H11ClN2OS/c1-4-6(3)15-10-7(4)9(14)12-8(13-10)5(2)11/h5H,1-3H3,(H,12,13,14)
InChIKey
FUAYKDNIULHSBI-UHFFFAOYSA-N
Compound name
2-(1-chloroethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.02806 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03534 148.0
[M+Na]+ 265.01728 161.6
[M-H]- 241.02078 150.4
[M+NH4]+ 260.06188 167.8
[M+K]+ 280.99122 155.6
[M+H-H2O]+ 225.02532 143.3
[M+HCOO]- 287.02626 159.8
[M+CH3COO]- 301.04191 161.6
[M+Na-2H]- 263.00273 149.2
[M]+ 242.02751 154.4
[M]- 242.02861 154.4
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.

Patent stripe

No patent data available for this compound.