CID 2442316

255378-83-7

Structural Information

Molecular Formula
C11H7ClN2OS2
SMILES
C1=CSC(=C1)C2=CSC3=C2C(=O)NC(=N3)CCl
InChI
InChI=1S/C11H7ClN2OS2/c12-4-8-13-10(15)9-6(5-17-11(9)14-8)7-2-1-3-16-7/h1-3,5H,4H2,(H,13,14,15)
InChIKey
VYNYUUUFRXWFFD-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.96884 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.97612 157.5
[M+Na]+ 304.95806 172.1
[M+NH4]+ 300.00266 167.2
[M+K]+ 320.93200 163.7
[M-H]- 280.96156 160.9
[M+Na-2H]- 302.94351 163.6
[M]+ 281.96829 161.8
[M]- 281.96939 161.8
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

No patent data available for this compound.