CID 735018

6-methyl-3h,4h-thieno[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C7H6N2OS
SMILES
CC1=CC2=C(S1)N=CNC2=O
InChI
InChI=1S/C7H6N2OS/c1-4-2-5-6(10)8-3-9-7(5)11-4/h2-3H,1H3,(H,8,9,10)
InChIKey
IXBCLHWYSXPUJS-UHFFFAOYSA-N
Compound name
6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

73
Patents

166.02008 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.027356 128.5
[M+Na]+ 189.009298 141.7
[M-H]- 165.012804 130.8
[M+NH4]+ 184.053903 150.2
[M+K]+ 204.983238 137.5
[M+H-H2O]+ 149.017340 123.2
[M+HCOO]- 211.018281 147.3
[M+CH3COO]- 225.033931 143.4
[M+Na-2H]- 186.994746 134.1
[M]+ 166.01953142 132.0
[M]- 166.02062858 132.0
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