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]+ 401.20845 199.8
[M+Na]+ 423.19039 207.9
[M-H]- 399.19389 207.5
[M+NH4]+ 418.23499 204.3
[M+K]+ 439.16433 200.4
[M+H-H2O]+ 383.19843 185.6
[M+HCOO]- 445.19937 214.2
[M+CH3COO]- 459.21502 207.5
[M+Na-2H]- 421.17584 202.2
[M]+ 400.20062 198.7
[M]- 400.20172 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