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 161.7
[M+Na]+ 308.02309 174.6
[M+NH4]+ 303.06769 169.3
[M+K]+ 323.99703 168.2
[M-H]- 284.02659 162.8
[M+Na-2H]- 306.00854 165.6
[M]+ 285.03332 164.5
[M]- 285.03442 164.5
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.