CID 2435347

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

Structural Information

Molecular Formula
C11H10Cl2N2O2S
SMILES
CCOC(=O)C1=C(C2=C(S1)N=C(N=C2Cl)CCl)C
InChI
InChI=1S/C11H10Cl2N2O2S/c1-3-17-11(16)8-5(2)7-9(13)14-6(4-12)15-10(7)18-8/h3-4H2,1-2H3
InChIKey
HEOJTPYNBOSOJO-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-2-(chloromethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.984 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.99128 160.7
[M+Na]+ 326.97322 174.2
[M-H]- 302.97672 163.7
[M+NH4]+ 322.01782 178.9
[M+K]+ 342.94716 168.5
[M+H-H2O]+ 286.98126 155.9
[M+HCOO]- 348.98220 168.8
[M+CH3COO]- 362.99785 199.7
[M+Na-2H]- 324.95867 161.3
[M]+ 303.98345 171.3
[M]- 303.98455 171.3
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.