CID 930205

1-[(4-chlorophenyl)methyl]-n-cyclohexylpyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C18H20ClN5
SMILES
C1CCC(CC1)NC2=C3C=NN(C3=NC=N2)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H20ClN5/c19-14-8-6-13(7-9-14)11-24-18-16(10-22-24)17(20-12-21-18)23-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11H2,(H,20,21,23)
InChIKey
LZALKPBCUKWXMY-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-N-cyclohexylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.14072 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14800 179.6
[M+Na]+ 364.12994 187.5
[M-H]- 340.13344 184.1
[M+NH4]+ 359.17454 190.3
[M+K]+ 380.10388 179.4
[M+H-H2O]+ 324.13798 167.3
[M+HCOO]- 386.13892 192.3
[M+CH3COO]- 400.15457 188.5
[M+Na-2H]- 362.11539 183.5
[M]+ 341.14017 178.6
[M]- 341.14127 178.6
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.