CID 73554641

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

Structural Information

Molecular Formula
C8H8ClN3
SMILES
CC1=NC2=C(C=CN2C)C(=N1)Cl
InChI
InChI=1S/C8H8ClN3/c1-5-10-7(9)6-3-4-12(2)8(6)11-5/h3-4H,1-2H3
InChIKey
JDKLNCOOXYFOKT-UHFFFAOYSA-N
Compound name
4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

181.04068 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04796 133.6
[M+Na]+ 204.02990 149.9
[M+NH4]+ 199.07450 142.8
[M+K]+ 220.00384 144.0
[M-H]- 180.03340 135.1
[M+Na-2H]- 202.01535 141.1
[M]+ 181.04013 136.7
[M]- 181.04123 136.7
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