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

literature stripe

Patent stripe

patents stripe