CID 135399168

215928-66-8

Structural Information

Molecular Formula
C12H7ClN2OS
SMILES
C1=CC(=CC=C1C2=CC3=C(S2)C(=O)NC=N3)Cl
InChI
InChI=1S/C12H7ClN2OS/c13-8-3-1-7(2-4-8)10-5-9-11(17-10)12(16)15-6-14-9/h1-6H,(H,14,15,16)
InChIKey
GMVVGUVTWOTQNB-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

261.99677 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.00405 152.9
[M+Na]+ 284.98599 170.2
[M+NH4]+ 280.03059 162.7
[M+K]+ 300.95993 161.2
[M-H]- 260.98949 157.0
[M+Na-2H]- 282.97144 161.9
[M]+ 261.99622 157.5
[M]- 261.99732 157.5
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

patents stripe