CID 290226

43088-64-8

Structural Information

Molecular Formula
C7H6N2OS
SMILES
CC1=CSC2=C1C(=O)NC=N2
InChI
InChI=1S/C7H6N2OS/c1-4-2-11-7-5(4)6(10)8-3-9-7/h2-3H,1H3,(H,8,9,10)
InChIKey
HRKYSEOOABTTCJ-UHFFFAOYSA-N
Compound name
5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

56
Patents

166.02008 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02736 130.4
[M+Na]+ 189.00930 144.5
[M+NH4]+ 184.05390 139.5
[M+K]+ 204.98324 137.8
[M-H]- 165.01280 131.7
[M+Na-2H]- 186.99475 136.6
[M]+ 166.01953 133.2
[M]- 166.02063 133.2
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