CID 16729344

9-[(1-benzyl-4-piperidyl)amino]-n,n-diethyl-acridine-1-carboxamide

Structural Information

Molecular Formula
C30H34N4O
SMILES
CCN(CC)C(=O)C1=CC=CC2=NC3=CC=CC=C3C(=C21)NC4CCN(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C30H34N4O/c1-3-34(4-2)30(35)25-14-10-16-27-28(25)29(24-13-8-9-15-26(24)32-27)31-23-17-19-33(20-18-23)21-22-11-6-5-7-12-22/h5-16,23H,3-4,17-21H2,1-2H3,(H,31,32)
InChIKey
XMWZHICNGSQRFZ-UHFFFAOYSA-N
Compound name
9-[(1-benzylpiperidin-4-yl)amino]-N,N-diethylacridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

466.27325 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.28053 216.3
[M+Na]+ 489.26247 218.9
[M-H]- 465.26597 224.0
[M+NH4]+ 484.30707 222.3
[M+K]+ 505.23641 211.7
[M+H-H2O]+ 449.27051 202.1
[M+HCOO]- 511.27145 231.4
[M+CH3COO]- 525.28710 222.0
[M+Na-2H]- 487.24792 218.9
[M]+ 466.27270 214.3
[M]- 466.27380 214.3
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.