CID 4161506

N-[2-(4-chlorophenyl)ethyl]-1-(2,4-dimethylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C21H20ClN5
SMILES
CC1=CC(=C(C=C1)N2C3=NC=NC(=C3C=N2)NCCC4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C21H20ClN5/c1-14-3-8-19(15(2)11-14)27-21-18(12-26-27)20(24-13-25-21)23-10-9-16-4-6-17(22)7-5-16/h3-8,11-13H,9-10H2,1-2H3,(H,23,24,25)
InChIKey
GVEANTZLLOOQTR-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)ethyl]-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

377.14072 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14800 192.3
[M+Na]+ 400.12994 203.7
[M-H]- 376.13344 198.2
[M+NH4]+ 395.17454 202.3
[M+K]+ 416.10388 194.2
[M+H-H2O]+ 360.13798 180.1
[M+HCOO]- 422.13892 208.0
[M+CH3COO]- 436.15457 202.1
[M+Na-2H]- 398.11539 196.1
[M]+ 377.14017 197.3
[M]- 377.14127 197.3
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