CID 76847048

4-chloro-3-ethyl-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C7H7ClN4
SMILES
CCC1=C2C(=NN1)N=CN=C2Cl
InChI
InChI=1S/C7H7ClN4/c1-2-4-5-6(8)9-3-10-7(5)12-11-4/h3H,2H2,1H3,(H,9,10,11,12)
InChIKey
WAIMQUPDNQRLKD-UHFFFAOYSA-N
Compound name
4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

182.03592 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04320 134.0
[M+Na]+ 205.02514 149.3
[M+NH4]+ 200.06974 142.1
[M+K]+ 220.99908 144.1
[M-H]- 181.02864 134.1
[M+Na-2H]- 203.01059 140.9
[M]+ 182.03537 136.4
[M]- 182.03647 136.4
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