CID 118996

36524-71-7

Structural Information

Molecular Formula
C29H31N5
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=NN=C(C=C5)N
InChI
InChI=1S/C29H31N5/c30-27-16-17-28(32-31-27)34-22-20-33(21-23-34)19-18-29(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-17H,18-23H2,(H2,30,31)
InChIKey
XMLGEAMAMPIBRC-UHFFFAOYSA-N
Compound name
6-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.25793 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.26521 212.4
[M+Na]+ 472.24715 214.1
[M-H]- 448.25065 219.4
[M+NH4]+ 467.29175 212.7
[M+K]+ 488.22109 204.2
[M+H-H2O]+ 432.25519 196.3
[M+HCOO]- 494.25613 223.5
[M+CH3COO]- 508.27178 216.5
[M+Na-2H]- 470.23260 216.0
[M]+ 449.25738 204.0
[M]- 449.25848 204.0
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.