CID 1542099

1-(4-chlorobenzyl)-n-(2-phenylethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C20H18ClN5
SMILES
C1=CC=C(C=C1)CCNC2=C3C=NN(C3=NC=N2)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H18ClN5/c21-17-8-6-16(7-9-17)13-26-20-18(12-25-26)19(23-14-24-20)22-11-10-15-4-2-1-3-5-15/h1-9,12,14H,10-11,13H2,(H,22,23,24)
InChIKey
ALMMDWHVYLEXCZ-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.12506 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13234 185.1
[M+Na]+ 386.11428 195.1
[M-H]- 362.11778 190.3
[M+NH4]+ 381.15888 195.0
[M+K]+ 402.08822 185.8
[M+H-H2O]+ 346.12232 172.6
[M+HCOO]- 408.12326 201.2
[M+CH3COO]- 422.13891 194.7
[M+Na-2H]- 384.09973 191.1
[M]+ 363.12451 188.9
[M]- 363.12561 188.9
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

No patent data available for this compound.