CID 15954019

2-acridinecarboxamide, n,n-diethyl-9,9a-dihydro-9-[[2-(1h-indol-3-yl)ethyl]amino]-

Structural Information

Molecular Formula
C28H30N4O
SMILES
CCN(CC)C(=O)C1=CC2C(C3=CC=CC=C3N=C2C=C1)NCCC4=CNC5=CC=CC=C54
InChI
InChI=1S/C28H30N4O/c1-3-32(4-2)28(33)19-13-14-26-23(17-19)27(22-10-6-8-12-25(22)31-26)29-16-15-20-18-30-24-11-7-5-9-21(20)24/h5-14,17-18,23,27,29-30H,3-4,15-16H2,1-2H3
InChIKey
RIDVCACENLGWOY-UHFFFAOYSA-N
Compound name
N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]-9,9a-dihydroacridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

438.24197 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.24925 207.3
[M+Na]+ 461.23119 212.4
[M-H]- 437.23469 213.2
[M+NH4]+ 456.27579 217.5
[M+K]+ 477.20513 204.7
[M+H-H2O]+ 421.23923 195.9
[M+HCOO]- 483.24017 224.0
[M+CH3COO]- 497.25582 214.5
[M+Na-2H]- 459.21664 210.2
[M]+ 438.24142 208.4
[M]- 438.24252 208.4
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.