CID 665387

215928-54-4

Structural Information

Molecular Formula
C10H6N2OS2
SMILES
C1=CSC(=C1)C2=CSC3=C2C(=O)NC=N3
InChI
InChI=1S/C10H6N2OS2/c13-9-8-6(7-2-1-3-14-7)4-15-10(8)12-5-11-9/h1-5H,(H,11,12,13)
InChIKey
LFUBTAOTPHKKOS-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

12
Patents

233.99216 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99944 145.6
[M+Na]+ 256.98138 160.0
[M-H]- 232.98488 151.6
[M+NH4]+ 252.02598 166.6
[M+K]+ 272.95532 154.2
[M+H-H2O]+ 216.98942 141.1
[M+HCOO]- 278.99036 160.8
[M+CH3COO]- 293.00601 159.9
[M+Na-2H]- 254.96683 147.2
[M]+ 233.99161 150.2
[M]- 233.99271 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe