CID 18511061

4-chloro-2,6-dimethyl-5h-pyrrolo[3,2-d]pyrimidine

Structural Information

Molecular Formula
C8H8ClN3
SMILES
CC1=CC2=C(N1)C(=NC(=N2)C)Cl
InChI
InChI=1S/C8H8ClN3/c1-4-3-6-7(10-4)8(9)12-5(2)11-6/h3,10H,1-2H3
InChIKey
CQNXCCXQBKWANP-UHFFFAOYSA-N
Compound name
4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

181.04068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04796 134.9
[M+Na]+ 204.02990 148.4
[M-H]- 180.03340 135.1
[M+NH4]+ 199.07450 154.8
[M+K]+ 220.00384 142.8
[M+H-H2O]+ 164.03794 128.4
[M+HCOO]- 226.03888 151.7
[M+CH3COO]- 240.05453 148.9
[M+Na-2H]- 202.01535 141.8
[M]+ 181.04013 138.0
[M]- 181.04123 138.0
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