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 156.6
[M+Na]+ 299.00164 170.1
[M-H]- 275.00514 161.8
[M+NH4]+ 294.04624 174.4
[M+K]+ 314.97558 162.4
[M+H-H2O]+ 259.00968 150.3
[M+HCOO]- 321.01062 170.2
[M+CH3COO]- 335.02627 169.7
[M+Na-2H]- 296.98709 160.4
[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.