CID 16096301

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

Structural Information

Molecular Formula
C9H8ClN3O2S
SMILES
CCOC(=O)C1=CC2=C(S1)N=C(N=C2Cl)N
InChI
InChI=1S/C9H8ClN3O2S/c1-2-15-8(14)5-3-4-6(10)12-9(11)13-7(4)16-5/h3H,2H2,1H3,(H2,11,12,13)
InChIKey
RVSQDXBPGDMBIQ-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-chlorothieno[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

257.00256 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.009836 150.9
[M+Na]+ 279.991778 163.5
[M-H]- 255.995284 153.9
[M+NH4]+ 275.036383 169.8
[M+K]+ 295.965718 158.7
[M+H-H2O]+ 239.999820 145.3
[M+HCOO]- 302.000761 165.2
[M+CH3COO]- 316.016411 192.4
[M+Na-2H]- 277.977226 153.5
[M]+ 257.00201142 158.0
[M]- 257.00310858 158.0
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

patents stripe