CID 16727673

N-[2-(1h-indol-3-yl)ethyl]-4-morpholino-acridin-9-amine

Structural Information

Molecular Formula
C27H26N4O
SMILES
C1COCCN1C2=CC=CC3=C(C4=CC=CC=C4N=C32)NCCC5=CNC6=CC=CC=C65
InChI
InChI=1S/C27H26N4O/c1-3-9-23-20(6-1)19(18-29-23)12-13-28-26-21-7-2-4-10-24(21)30-27-22(26)8-5-11-25(27)31-14-16-32-17-15-31/h1-11,18,29H,12-17H2,(H,28,30)
InChIKey
QRKLMEWPGLKNRE-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.21066 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.21794 198.9
[M+Na]+ 445.19988 206.0
[M-H]- 421.20338 206.0
[M+NH4]+ 440.24448 206.3
[M+K]+ 461.17382 197.2
[M+H-H2O]+ 405.20792 186.0
[M+HCOO]- 467.20886 212.7
[M+CH3COO]- 481.22451 206.3
[M+Na-2H]- 443.18533 204.3
[M]+ 422.21011 197.4
[M]- 422.21121 197.4
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.