CID 95929647

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

Structural Information

Molecular Formula
C8H7Cl2N3
SMILES
CC1=CC2=C(N1C)C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C8H7Cl2N3/c1-4-3-5-6(13(4)2)7(9)12-8(10)11-5/h3H,1-2H3
InChIKey
DWGULFZWTSZRDA-UHFFFAOYSA-N
Compound name
2,4-dichloro-5,6-dimethylpyrrolo[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.00171 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00899 140.6
[M+Na]+ 237.99093 155.4
[M-H]- 213.99443 141.5
[M+NH4]+ 233.03553 160.2
[M+K]+ 253.96487 149.6
[M+H-H2O]+ 197.99897 134.0
[M+HCOO]- 259.99991 153.3
[M+CH3COO]- 274.01556 154.5
[M+Na-2H]- 235.97638 146.2
[M]+ 215.00116 146.5
[M]- 215.00226 146.5
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

No patent data available for this compound.