CID 3011482

Chembl419664

Structural Information

Molecular Formula
C27H25N7
SMILES
C1CN(CCN1C2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=N6
InChI
InChI=1S/C27H25N7/c1-3-9-21(10-4-1)25(24-13-7-8-14-28-24)32-15-17-33(18-16-32)26-23-19-31-34(27(23)30-20-29-26)22-11-5-2-6-12-22/h1-14,19-20,25H,15-18H2
InChIKey
NTZVFEGIQFJPHD-UHFFFAOYSA-N
Compound name
1-phenyl-4-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

447.21713 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.22441 208.4
[M+Na]+ 470.20635 213.9
[M-H]- 446.20985 214.4
[M+NH4]+ 465.25095 208.1
[M+K]+ 486.18029 203.0
[M+H-H2O]+ 430.21439 191.2
[M+HCOO]- 492.21533 217.8
[M+CH3COO]- 506.23098 213.0
[M+Na-2H]- 468.19180 210.4
[M]+ 447.21658 203.5
[M]- 447.21768 203.5
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

patents stripe