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]+ 282.976116 157.3
[M+Na]+ 304.958058 172.3
[M-H]- 280.961564 163.4
[M+NH4]+ 300.002663 177.4
[M+K]+ 320.931998 165.1
[M+H-H2O]+ 264.966100 153.3
[M+HCOO]- 326.967041 167.4
[M+CH3COO]- 340.982691 170.9
[M+Na-2H]- 302.943506 157.3
[M]+ 281.96829142 164.2
[M]- 281.96938858 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.