CID 857577

2,5,6-trimethyl-3h,4h-thieno[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C9H10N2OS
SMILES
CC1=C(SC2=C1C(=O)NC(=N2)C)C
InChI
InChI=1S/C9H10N2OS/c1-4-5(2)13-9-7(4)8(12)10-6(3)11-9/h1-3H3,(H,10,11,12)
InChIKey
ONHXPYXOJCRCBR-UHFFFAOYSA-N
Compound name
2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

194.05139 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.058666 137.4
[M+Na]+ 217.040608 151.3
[M-H]- 193.044114 140.0
[M+NH4]+ 212.085213 158.4
[M+K]+ 233.014548 146.6
[M+H-H2O]+ 177.048650 132.2
[M+HCOO]- 239.049591 155.3
[M+CH3COO]- 253.065241 152.0
[M+Na-2H]- 215.026056 140.6
[M]+ 194.05084142 142.3
[M]- 194.05193858 142.3
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