CID 265829

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

Structural Information

Molecular Formula
C7H6ClN3
SMILES
CN1C=CC2=C1N=CN=C2Cl
InChI
InChI=1S/C7H6ClN3/c1-11-3-2-5-6(8)9-4-10-7(5)11/h2-4H,1H3
InChIKey
BJGDLOLPALCTJQ-UHFFFAOYSA-N
Compound name
4-chloro-7-methylpyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

328
Patents

167.02502 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03230 129.4
[M+Na]+ 190.01424 142.8
[M-H]- 166.01774 130.7
[M+NH4]+ 185.05884 150.2
[M+K]+ 205.98818 138.4
[M+H-H2O]+ 150.02228 122.4
[M+HCOO]- 212.02322 148.0
[M+CH3COO]- 226.03887 144.1
[M+Na-2H]- 187.99969 138.1
[M]+ 167.02447 133.6
[M]- 167.02557 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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