CID 706022

6-methyl-5-phenyl-3h,4h-thieno[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C13H10N2OS
SMILES
CC1=C(C2=C(S1)N=CNC2=O)C3=CC=CC=C3
InChI
InChI=1S/C13H10N2OS/c1-8-10(9-5-3-2-4-6-9)11-12(16)14-7-15-13(11)17-8/h2-7H,1H3,(H,14,15,16)
InChIKey
RKCANXOFEMKLEZ-UHFFFAOYSA-N
Compound name
6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

242.05139 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05867 150.3
[M+Na]+ 265.04061 163.3
[M-H]- 241.04411 155.7
[M+NH4]+ 260.08521 168.7
[M+K]+ 281.01455 156.8
[M+H-H2O]+ 225.04865 143.6
[M+HCOO]- 287.04959 168.6
[M+CH3COO]- 301.06524 163.9
[M+Na-2H]- 263.02606 154.6
[M]+ 242.05084 153.8
[M]- 242.05194 153.8
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

patents stripe