CID 17480856

941083-97-2

Structural Information

Molecular Formula
C11H12N2OS
SMILES
CC1=C(SC2=NC(=NC(=C12)C)C)C(=O)C
InChI
InChI=1S/C11H12N2OS/c1-5-9-6(2)12-8(4)13-11(9)15-10(5)7(3)14/h1-4H3
InChIKey
AQPQSRMXIKTHIB-UHFFFAOYSA-N
Compound name
1-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.06703 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 148.5
[M+Na]+ 243.05625 162.6
[M+NH4]+ 238.10085 157.2
[M+K]+ 259.03019 155.9
[M-H]- 219.05975 150.1
[M+Na-2H]- 241.04170 153.4
[M]+ 220.06648 151.5
[M]- 220.06758 151.5
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.