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
Annotation Hits

0
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 156.9
[M-H]- 224.02322 145.4
[M+NH4]+ 243.06432 162.3
[M+K]+ 263.99366 153.0
[M+H-H2O]+ 208.02776 136.6
[M+HCOO]- 270.02870 161.2
[M+CH3COO]- 284.04435 187.3
[M+Na-2H]- 246.00517 149.5
[M]+ 225.02995 150.5
[M]- 225.03105 150.5
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.