CID 15955023

Schembl6264320

Structural Information

Molecular Formula
C23H24N6O
SMILES
CC1=CC(=C(C=C1)N2C3=NC=NC(=C3C=N2)NC4=CC=C(C=C4)N5CCOCC5)C
InChI
InChI=1S/C23H24N6O/c1-16-3-8-21(17(2)13-16)29-23-20(14-26-29)22(24-15-25-23)27-18-4-6-19(7-5-18)28-9-11-30-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,24,25,27)
InChIKey
WSKYLLWBQXSQBE-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

400.20117 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.208446 199.8
[M+Na]+ 423.190388 207.9
[M-H]- 399.193894 207.5
[M+NH4]+ 418.234993 204.3
[M+K]+ 439.164328 200.4
[M+H-H2O]+ 383.198430 185.6
[M+HCOO]- 445.199371 214.2
[M+CH3COO]- 459.215021 207.5
[M+Na-2H]- 421.175836 202.2
[M]+ 400.20062142 198.7
[M]- 400.20171858 198.7
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