CID 940326

Oprea1_675682

Structural Information

Molecular Formula
C19H16FN5
SMILES
CC1=CC(=C(C=C1)N2C3=NC=NC(=C3C=N2)NC4=CC(=CC=C4)F)C
InChI
InChI=1S/C19H16FN5/c1-12-6-7-17(13(2)8-12)25-19-16(10-23-25)18(21-11-22-19)24-15-5-3-4-14(20)9-15/h3-11H,1-2H3,(H,21,22,24)
InChIKey
IMSFDTNUZUEEJZ-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-N-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

333.13898 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14626 179.7
[M+Na]+ 356.12820 191.6
[M-H]- 332.13170 185.2
[M+NH4]+ 351.17280 190.7
[M+K]+ 372.10214 183.2
[M+H-H2O]+ 316.13624 167.2
[M+HCOO]- 378.13718 199.9
[M+CH3COO]- 392.15283 190.4
[M+Na-2H]- 354.11365 184.6
[M]+ 333.13843 181.1
[M]- 333.13953 181.1
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