CID 15953953

3-(4-methylpiperazine-1-carbonyl)-10h-acridin-9-one

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4N3
InChI
InChI=1S/C19H19N3O2/c1-21-8-10-22(11-9-21)19(24)13-6-7-15-17(12-13)20-16-5-3-2-4-14(16)18(15)23/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKey
MHOBEXRGTJBDOX-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazine-1-carbonyl)-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

321.14774 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.155016 176.8
[M+Na]+ 344.136958 185.0
[M-H]- 320.140464 179.6
[M+NH4]+ 339.181563 187.8
[M+K]+ 360.110898 177.8
[M+H-H2O]+ 304.145000 165.9
[M+HCOO]- 366.145941 189.8
[M+CH3COO]- 380.161591 185.7
[M+Na-2H]- 342.122406 181.7
[M]+ 321.14719142 173.9
[M]- 321.14828858 173.9
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.