CID 3011478

Chembl82903

Structural Information

Molecular Formula
C24H26N6
SMILES
CCN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H26N6/c1-2-30-24-21(17-27-30)23(25-18-26-24)29-15-13-28(14-16-29)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,22H,2,13-16H2,1H3
InChIKey
BNGJTUVDQCSLTE-UHFFFAOYSA-N
Compound name
4-(4-benzhydrylpiperazin-1-yl)-1-ethylpyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.2219 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22918 199.1
[M+Na]+ 421.21112 205.2
[M-H]- 397.21462 203.8
[M+NH4]+ 416.25572 203.1
[M+K]+ 437.18506 196.0
[M+H-H2O]+ 381.21916 183.8
[M+HCOO]- 443.22010 210.4
[M+CH3COO]- 457.23575 205.3
[M+Na-2H]- 419.19657 200.6
[M]+ 398.22135 195.9
[M]- 398.22245 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.