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

57
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 128.9
[M+Na]+ 190.01424 145.0
[M+NH4]+ 185.05884 138.2
[M+K]+ 205.98818 139.2
[M-H]- 166.01774 130.3
[M+Na-2H]- 187.99969 136.9
[M]+ 167.02447 131.9
[M]- 167.02557 131.9
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