CID 875439

N-(4-ethoxyphenyl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C19H17N5O
SMILES
CCOC1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)C4=CC=CC=C4
InChI
InChI=1S/C19H17N5O/c1-2-25-16-10-8-14(9-11-16)23-18-17-12-22-24(19(17)21-13-20-18)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,20,21,23)
InChIKey
PZEBHXQTAHIDHI-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

331.1433 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15058 177.1
[M+Na]+ 354.13252 186.8
[M-H]- 330.13602 183.2
[M+NH4]+ 349.17712 187.5
[M+K]+ 370.10646 179.7
[M+H-H2O]+ 314.14056 165.0
[M+HCOO]- 376.14150 198.6
[M+CH3COO]- 390.15715 187.6
[M+Na-2H]- 352.11797 184.4
[M]+ 331.14275 179.9
[M]- 331.14385 179.9
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.