CID 215639

35978-39-3

Structural Information

Molecular Formula
C12H8N2OS
SMILES
C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC=N3
InChI
InChI=1S/C12H8N2OS/c15-11-10-9(8-4-2-1-3-5-8)6-16-12(10)14-7-13-11/h1-7H,(H,13,14,15)
InChIKey
OLGMRBGIXZANNV-UHFFFAOYSA-N
Compound name
5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

60
Patents

228.03574 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04302 145.8
[M+Na]+ 251.02496 161.9
[M+NH4]+ 246.06956 155.3
[M+K]+ 266.99890 153.6
[M-H]- 227.02846 149.8
[M+Na-2H]- 249.01041 155.1
[M]+ 228.03519 149.8
[M]- 228.03629 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe