CID 15954003

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

Structural Information

Molecular Formula
C29H31N5O
SMILES
CN1CCN(CC1)C(=O)C2=CC=CC3C2=NC4=CC=CC=C4C3NCCC5=CNC6=CC=CC=C65
InChI
InChI=1S/C29H31N5O/c1-33-15-17-34(18-16-33)29(35)24-10-6-9-23-27(22-8-3-5-12-26(22)32-28(23)24)30-14-13-20-19-31-25-11-4-2-7-21(20)25/h2-12,19,23,27,30-31H,13-18H2,1H3
InChIKey
TUYLDWBLJZWDAT-UHFFFAOYSA-N
Compound name
[9-[2-(1H-indol-3-yl)ethylamino]-9,9a-dihydroacridin-4-yl]-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

465.25287 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.26015 213.4
[M+Na]+ 488.24209 217.8
[M-H]- 464.24559 217.8
[M+NH4]+ 483.28669 218.7
[M+K]+ 504.21603 207.9
[M+H-H2O]+ 448.25013 199.6
[M+HCOO]- 510.25107 222.3
[M+CH3COO]- 524.26672 218.1
[M+Na-2H]- 486.22754 214.0
[M]+ 465.25232 208.7
[M]- 465.25342 208.7
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.