CID 25230953

2,4-dichloro-7-methyl-7h-pyrrolo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C7H5Cl2N3
SMILES
CN1C=CC2=C1N=C(N=C2Cl)Cl
InChI
InChI=1S/C7H5Cl2N3/c1-12-3-2-4-5(8)10-7(9)11-6(4)12/h2-3H,1H3
InChIKey
WIROGLUDZOMAPT-UHFFFAOYSA-N
Compound name
2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

200.98605 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99333 135.8
[M+Na]+ 223.97527 150.1
[M-H]- 199.97877 136.5
[M+NH4]+ 219.01987 155.7
[M+K]+ 239.94921 144.5
[M+H-H2O]+ 183.98331 129.1
[M+HCOO]- 245.98425 148.9
[M+CH3COO]- 259.99990 149.8
[M+Na-2H]- 221.96072 142.7
[M]+ 200.98550 141.0
[M]- 200.98660 141.0
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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