CID 15955016

Schembl6264348

Structural Information

Molecular Formula
C19H15ClFN5
SMILES
CC1=CC(=C(C=C1)N2C3=NC=NC(=C3C=N2)NC4=CC(=C(C=C4)F)Cl)C
InChI
InChI=1S/C19H15ClFN5/c1-11-3-6-17(12(2)7-11)26-19-14(9-24-26)18(22-10-23-19)25-13-4-5-16(21)15(20)8-13/h3-10H,1-2H3,(H,22,23,25)
InChIKey
GZFKJNMYBFPJDQ-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

367.1 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.10728 186.9
[M+Na]+ 390.08922 200.3
[M-H]- 366.09272 192.3
[M+NH4]+ 385.13382 197.7
[M+K]+ 406.06316 190.7
[M+H-H2O]+ 350.09726 174.5
[M+HCOO]- 412.09820 202.3
[M+CH3COO]- 426.11385 197.4
[M+Na-2H]- 388.07467 190.4
[M]+ 367.09945 190.9
[M]- 367.10055 190.9
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