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]+ 322.15502 176.8
[M+Na]+ 344.13696 185.0
[M-H]- 320.14046 179.6
[M+NH4]+ 339.18156 187.8
[M+K]+ 360.11090 177.8
[M+H-H2O]+ 304.14500 165.9
[M+HCOO]- 366.14594 189.8
[M+CH3COO]- 380.16159 185.7
[M+Na-2H]- 342.12241 181.7
[M]+ 321.14719 173.9
[M]- 321.14829 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.