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]+ 252.08013 154.1
[M+Na]+ 274.06207 166.1
[M-H]- 250.06557 157.3
[M+NH4]+ 269.10667 172.7
[M+K]+ 290.03601 162.3
[M+H-H2O]+ 234.07011 147.8
[M+HCOO]- 296.07105 172.4
[M+CH3COO]- 310.08670 195.9
[M+Na-2H]- 272.04752 155.5
[M]+ 251.07230 160.5
[M]- 251.07340 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.