CID 16729345

[9-[2-(1h-indol-3-yl)ethylamino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone

Structural Information

Molecular Formula
C29H29N5O
SMILES
CN1CCN(CC1)C(=O)C2=CC=CC3=NC4=CC=CC=C4C(=C32)NCCC5=CNC6=CC=CC=C65
InChI
InChI=1S/C29H29N5O/c1-33-15-17-34(18-16-33)29(35)23-9-6-12-26-27(23)28(22-8-3-5-11-25(22)32-26)30-14-13-20-19-31-24-10-4-2-7-21(20)24/h2-12,19,31H,13-18H2,1H3,(H,30,32)
InChIKey
NFXXQCITTIJLCK-UHFFFAOYSA-N
Compound name
[9-[2-(1H-indol-3-yl)ethylamino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

463.2372 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.24448 212.9
[M+Na]+ 486.22642 219.2
[M-H]- 462.22992 218.1
[M+NH4]+ 481.27102 218.5
[M+K]+ 502.20036 208.9
[M+H-H2O]+ 446.23446 199.2
[M+HCOO]- 508.23540 224.5
[M+CH3COO]- 522.25105 218.5
[M+Na-2H]- 484.21187 215.5
[M]+ 463.23665 210.9
[M]- 463.23775 210.9
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.