CID 9115293

Ethyl 4-amino-2-(chloromethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C11H12ClN3O2S
SMILES
CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CCl)N)C
InChI
InChI=1S/C11H12ClN3O2S/c1-3-17-11(16)8-5(2)7-9(13)14-6(4-12)15-10(7)18-8/h3-4H2,1-2H3,(H2,13,14,15)
InChIKey
LMBQENNTVROIAI-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-(chloromethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.03387 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04115 160.2
[M+Na]+ 308.02309 172.7
[M-H]- 284.02659 163.2
[M+NH4]+ 303.06769 178.2
[M+K]+ 323.99703 167.4
[M+H-H2O]+ 268.03113 154.5
[M+HCOO]- 330.03207 173.8
[M+CH3COO]- 344.04772 199.6
[M+Na-2H]- 306.00854 161.1
[M]+ 285.03332 168.4
[M]- 285.03442 168.4
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.