CID 214960

Pyridazine, 3-(4-(3,3,3-triphenylpropyl)-1-piperazinyl)-

Structural Information

Molecular Formula
C29H30N4
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=NN=CC=C5
InChI
InChI=1S/C29H30N4/c1-4-11-25(12-5-1)29(26-13-6-2-7-14-26,27-15-8-3-9-16-27)18-20-32-21-23-33(24-22-32)28-17-10-19-30-31-28/h1-17,19H,18,20-24H2
InChIKey
DSDCLCMGEAPCMA-UHFFFAOYSA-N
Compound name
3-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.24704 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.254316 210.0
[M+Na]+ 457.236258 211.5
[M-H]- 433.239764 216.9
[M+NH4]+ 452.280863 211.0
[M+K]+ 473.210198 201.8
[M+H-H2O]+ 417.244300 193.5
[M+HCOO]- 479.245241 220.5
[M+CH3COO]- 493.260891 214.3
[M+Na-2H]- 455.221706 214.0
[M]+ 434.24649142 202.4
[M]- 434.24758858 202.4
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.