CID 16727672

N9-(1-benzyl-4-piperidyl)-n4,n4-diethyl-acridine-4,9-diamine

Structural Information

Molecular Formula
C29H34N4
SMILES
CCN(CC)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4CCN(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C29H34N4/c1-3-33(4-2)27-16-10-14-25-28(24-13-8-9-15-26(24)31-29(25)27)30-23-17-19-32(20-18-23)21-22-11-6-5-7-12-22/h5-16,23H,3-4,17-21H2,1-2H3,(H,30,31)
InChIKey
FOYPLBQUHBREOC-UHFFFAOYSA-N
Compound name
9-N-(1-benzylpiperidin-4-yl)-4-N,4-N-diethylacridine-4,9-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

438.27835 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.28563 209.7
[M+Na]+ 461.26757 213.1
[M-H]- 437.27107 217.5
[M+NH4]+ 456.31217 217.1
[M+K]+ 477.24151 205.1
[M+H-H2O]+ 421.27561 195.5
[M+HCOO]- 483.27655 225.8
[M+CH3COO]- 497.29220 216.0
[M+Na-2H]- 459.25302 213.7
[M]+ 438.27780 207.4
[M]- 438.27890 207.4
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.