CID 118998

Piperazine, 1-(6-allylamino-3-pyridazinyl)-4-(3,3,3-triphenylpropyl)-, dihydrochloride

Structural Information

Molecular Formula
C32H35N5
SMILES
C=CCNC1=CC(=NN=C1)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H35N5/c1-2-19-33-30-25-31(35-34-26-30)37-23-21-36(22-24-37)20-18-32(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h2-17,25-26H,1,18-24H2,(H,33,35)
InChIKey
IKQSUSJTNGHOCG-UHFFFAOYSA-N
Compound name
N-prop-2-enyl-6-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyridazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.28925 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.29653 226.7
[M+Na]+ 512.27847 242.8
[M+NH4]+ 507.32307 232.9
[M+K]+ 528.25241 231.4
[M-H]- 488.28197 235.9
[M+Na-2H]- 510.26392 240.0
[M]+ 489.28870 231.8
[M]- 489.28980 231.8
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.