CID 72213405

Methyl 4-chloro-7-methyl-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C9H8ClN3O2
SMILES
CN1C(=CC2=C1N=CN=C2Cl)C(=O)OC
InChI
InChI=1S/C9H8ClN3O2/c1-13-6(9(14)15-2)3-5-7(10)11-4-12-8(5)13/h3-4H,1-2H3
InChIKey
CQKNGJFYCSWIRI-UHFFFAOYSA-N
Compound name
methyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
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References

0
Patents

225.0305 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03778 143.7
[M+Na]+ 248.01972 158.5
[M+NH4]+ 243.06432 151.2
[M+K]+ 263.99366 154.3
[M-H]- 224.02322 143.7
[M+Na-2H]- 246.00517 149.6
[M]+ 225.02995 146.0
[M]- 225.03105 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.