CID 57415888

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

Structural Information

Molecular Formula
C7H6ClN3
SMILES
CN1C=CC2=CN=C(N=C21)Cl
InChI
InChI=1S/C7H6ClN3/c1-11-3-2-5-4-9-7(8)10-6(5)11/h2-4H,1H3
InChIKey
WOIRQILACBXPIQ-UHFFFAOYSA-N
Compound name
2-chloro-7-methylpyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

167.02502 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.032296 129.4
[M+Na]+ 190.014238 142.8
[M-H]- 166.017744 130.7
[M+NH4]+ 185.058843 150.2
[M+K]+ 205.988178 138.4
[M+H-H2O]+ 150.022280 122.4
[M+HCOO]- 212.023221 148.0
[M+CH3COO]- 226.038871 144.1
[M+Na-2H]- 187.999686 138.1
[M]+ 167.02447142 133.6
[M]- 167.02556858 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

No literature data available for this compound.

Patent stripe

patents stripe