CID 15954009

3-acridinecarboxamide, n,n-diethyl-9,9a-dihydro-9-[[1-(phenylmethyl)-4-piperidinyl]amino]-

Structural Information

Molecular Formula
C30H36N4O
SMILES
CCN(CC)C(=O)C1=CC2=NC3=CC=CC=C3C(C2C=C1)NC4CCN(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C30H36N4O/c1-3-34(4-2)30(35)23-14-15-26-28(20-23)32-27-13-9-8-12-25(27)29(26)31-24-16-18-33(19-17-24)21-22-10-6-5-7-11-22/h5-15,20,24,26,29,31H,3-4,16-19,21H2,1-2H3
InChIKey
RIHWZPXJFGKNDZ-UHFFFAOYSA-N
Compound name
9-[(1-benzylpiperidin-4-yl)amino]-N,N-diethyl-9,9a-dihydroacridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

468.2889 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.29618 216.6
[M+Na]+ 491.27812 217.2
[M-H]- 467.28162 223.4
[M+NH4]+ 486.32272 222.3
[M+K]+ 507.25206 210.3
[M+H-H2O]+ 451.28616 202.3
[M+HCOO]- 513.28710 228.9
[M+CH3COO]- 527.30275 221.3
[M+Na-2H]- 489.26357 217.2
[M]+ 468.28835 211.8
[M]- 468.28945 211.8
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.