CID 15955009

Schembl6269013

Structural Information

Molecular Formula
C20H16F3N5
SMILES
CC1=CC(=C(C=C1)N2C3=NC=NC(=C3C=N2)NC4=CC=CC(=C4)C(F)(F)F)C
InChI
InChI=1S/C20H16F3N5/c1-12-6-7-17(13(2)8-12)28-19-16(10-26-28)18(24-11-25-19)27-15-5-3-4-14(9-15)20(21,22)23/h3-11H,1-2H3,(H,24,25,27)
InChIKey
OQANONUIVUIPAV-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

383.13577 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14305 191.9
[M+Na]+ 406.12499 203.8
[M-H]- 382.12849 195.0
[M+NH4]+ 401.16959 200.9
[M+K]+ 422.09893 194.8
[M+H-H2O]+ 366.13303 178.0
[M+HCOO]- 428.13397 207.9
[M+CH3COO]- 442.14962 201.0
[M+Na-2H]- 404.11044 195.9
[M]+ 383.13522 191.1
[M]- 383.13632 191.1
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