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

19
Patents

182.03592 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.043196 134.7
[M+Na]+ 205.025138 147.6
[M-H]- 181.028644 133.2
[M+NH4]+ 200.069743 152.8
[M+K]+ 220.999078 142.2
[M+H-H2O]+ 165.033180 127.0
[M+HCOO]- 227.034121 150.4
[M+CH3COO]- 241.049771 147.9
[M+Na-2H]- 203.010586 142.7
[M]+ 182.03537142 137.5
[M]- 182.03646858 137.5
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

patents stripe