CID 15955038

1-(2,4-dimethylphenyl)-n-(3-fluoro-4-morpholino-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C23H23FN6O
SMILES
CC1=CC(=C(C=C1)N2C3=NC=NC(=C3C=N2)NC4=CC(=C(C=C4)N5CCOCC5)F)C
InChI
InChI=1S/C23H23FN6O/c1-15-3-5-20(16(2)11-15)30-23-18(13-27-30)22(25-14-26-23)28-17-4-6-21(19(24)12-17)29-7-9-31-10-8-29/h3-6,11-14H,7-10H2,1-2H3,(H,25,26,28)
InChIKey
KJHBWTVBPFMRPK-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-N-(3-fluoro-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

418.19174 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.19902 204.7
[M+Na]+ 441.18096 213.8
[M-H]- 417.18446 211.5
[M+NH4]+ 436.22556 208.7
[M+K]+ 457.15490 205.6
[M+H-H2O]+ 401.18900 189.8
[M+HCOO]- 463.18994 218.0
[M+CH3COO]- 477.20559 212.0
[M+Na-2H]- 439.16641 205.6
[M]+ 418.19119 203.2
[M]- 418.19229 203.2
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