CID 14896206

Ethyl 4-amino-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C11H13N3O2S
SMILES
CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N)C
InChI
InChI=1S/C11H13N3O2S/c1-4-16-11(15)8-5(2)7-9(12)13-6(3)14-10(7)17-8/h4H2,1-3H3,(H2,12,13,14)
InChIKey
OMDWYJFDWFUGEN-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.07285 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.080126 154.1
[M+Na]+ 274.062068 166.1
[M-H]- 250.065574 157.3
[M+NH4]+ 269.106673 172.7
[M+K]+ 290.036008 162.3
[M+H-H2O]+ 234.070110 147.8
[M+HCOO]- 296.071051 172.4
[M+CH3COO]- 310.086701 195.9
[M+Na-2H]- 272.047516 155.5
[M]+ 251.07230142 160.5
[M]- 251.07339858 160.5
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.