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 157.3
[M+Na]+ 304.95806 172.3
[M-H]- 280.96156 163.4
[M+NH4]+ 300.00266 177.4
[M+K]+ 320.93200 165.1
[M+H-H2O]+ 264.96610 153.3
[M+HCOO]- 326.96704 167.4
[M+CH3COO]- 340.98269 170.9
[M+Na-2H]- 302.94351 157.3
[M]+ 281.96829 164.2
[M]- 281.96939 164.2
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.