CID 135524476

156424-48-5

Structural Information

Molecular Formula
C13H9ClN2OS
SMILES
C1=CC=C(C=C1)C2=CC3=C(S2)C(=O)NC(=N3)CCl
InChI
InChI=1S/C13H9ClN2OS/c14-7-11-15-9-6-10(8-4-2-1-3-5-8)18-12(9)13(17)16-11/h1-6H,7H2,(H,15,16,17)
InChIKey
GVNINDVYYMFZJV-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.01242 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.01970 157.4
[M+Na]+ 299.00164 174.5
[M+NH4]+ 294.04624 167.0
[M+K]+ 314.97558 165.2
[M-H]- 275.00514 161.5
[M+Na-2H]- 296.98709 166.2
[M]+ 276.01187 162.0
[M]- 276.01297 162.0
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.