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 134.7
[M+Na]+ 205.02514 147.6
[M-H]- 181.02864 133.2
[M+NH4]+ 200.06974 152.8
[M+K]+ 220.99908 142.2
[M+H-H2O]+ 165.03318 127.0
[M+HCOO]- 227.03412 150.4
[M+CH3COO]- 241.04977 147.9
[M+Na-2H]- 203.01059 142.7
[M]+ 182.03537 137.5
[M]- 182.03647 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