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 145.5
[M+Na]+ 243.05625 158.7
[M-H]- 219.05975 149.4
[M+NH4]+ 238.10085 166.1
[M+K]+ 259.03019 154.9
[M+H-H2O]+ 203.06429 139.8
[M+HCOO]- 265.06523 163.3
[M+CH3COO]- 279.08088 190.2
[M+Na-2H]- 241.04170 147.1
[M]+ 220.06648 152.4
[M]- 220.06758 152.4
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.