CID 11597287

Chembl204596

Structural Information

Molecular Formula
C28H28N4O
SMILES
CCN(CC)C(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NCCC4=CNC5=CC=CC=C54
InChI
InChI=1S/C28H28N4O/c1-3-32(4-2)28(33)23-13-9-12-22-26(21-11-6-8-15-25(21)31-27(22)23)29-17-16-19-18-30-24-14-7-5-10-20(19)24/h5-15,18,30H,3-4,16-17H2,1-2H3,(H,29,31)
InChIKey
CKXQODKLUHWLGG-UHFFFAOYSA-N
Compound name
N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.22632 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.23360 207.3
[M+Na]+ 459.21554 214.3
[M-H]- 435.21904 214.1
[M+NH4]+ 454.26014 217.8
[M+K]+ 475.18948 206.3
[M+H-H2O]+ 419.22358 195.9
[M+HCOO]- 481.22452 226.7
[M+CH3COO]- 495.24017 215.4
[M+Na-2H]- 457.20099 212.0
[M]+ 436.22577 211.1
[M]- 436.22687 211.1
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.