CID 16729343

[9-[(1-benzyl-4-piperidyl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone

Structural Information

Molecular Formula
C31H35N5O
SMILES
CN1CCN(CC1)C(=O)C2=CC=CC3=NC4=CC=CC=C4C(=C32)NC5CCN(CC5)CC6=CC=CC=C6
InChI
InChI=1S/C31H35N5O/c1-34-18-20-36(21-19-34)31(37)26-11-7-13-28-29(26)30(25-10-5-6-12-27(25)33-28)32-24-14-16-35(17-15-24)22-23-8-3-2-4-9-23/h2-13,24H,14-22H2,1H3,(H,32,33)
InChIKey
CZXFKUKRCNRTPL-UHFFFAOYSA-N
Compound name
[9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

493.28415 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.29143 223.7
[M+Na]+ 516.27337 225.6
[M-H]- 492.27687 229.6
[M+NH4]+ 511.31797 224.7
[M+K]+ 532.24731 215.9
[M+H-H2O]+ 476.28141 206.8
[M+HCOO]- 538.28235 230.8
[M+CH3COO]- 552.29800 226.7
[M+Na-2H]- 514.25882 224.2
[M]+ 493.28360 215.7
[M]- 493.28470 215.7
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.