CID 1538299

1-(2,4-dimethylphenyl)-n-(4-ethoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C21H21N5O
SMILES
CCOC1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)C4=C(C=C(C=C4)C)C
InChI
InChI=1S/C21H21N5O/c1-4-27-17-8-6-16(7-9-17)25-20-18-12-24-26(21(18)23-13-22-20)19-10-5-14(2)11-15(19)3/h5-13H,4H2,1-3H3,(H,22,23,25)
InChIKey
PZWSSCPORUEWEZ-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

359.17462 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.18190 188.7
[M+Na]+ 382.16384 199.3
[M-H]- 358.16734 195.2
[M+NH4]+ 377.20844 198.5
[M+K]+ 398.13778 191.7
[M+H-H2O]+ 342.17188 176.6
[M+HCOO]- 404.17282 209.4
[M+CH3COO]- 418.18847 198.8
[M+Na-2H]- 380.14929 193.2
[M]+ 359.17407 192.9
[M]- 359.17517 192.9
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