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

44
Patents

257.00256 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.00984 150.9
[M+Na]+ 279.99178 163.5
[M-H]- 255.99528 153.9
[M+NH4]+ 275.03638 169.8
[M+K]+ 295.96572 158.7
[M+H-H2O]+ 239.99982 145.3
[M+HCOO]- 302.00076 165.2
[M+CH3COO]- 316.01641 192.4
[M+Na-2H]- 277.97723 153.5
[M]+ 257.00201 158.0
[M]- 257.00311 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