CID 335407

4-chloro-6-methyl-7h-pyrrolo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C7H6ClN3
SMILES
CC1=CC2=C(N1)N=CN=C2Cl
InChI
InChI=1S/C7H6ClN3/c1-4-2-5-6(8)9-3-10-7(5)11-4/h2-3H,1H3,(H,9,10,11)
InChIKey
PGQJBJDESGAJSO-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

167.02502 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03230 130.0
[M+Na]+ 190.01424 143.0
[M-H]- 166.01774 130.0
[M+NH4]+ 185.05884 150.1
[M+K]+ 205.98818 137.7
[M+H-H2O]+ 150.02228 123.3
[M+HCOO]- 212.02322 147.1
[M+CH3COO]- 226.03887 144.0
[M+Na-2H]- 187.99969 138.2
[M]+ 167.02447 132.4
[M]- 167.02557 132.4
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