CID 9799509

Er-27319

Structural Information

Molecular Formula
C18H20N2O
SMILES
CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3N2CCCN)C
InChI
InChI=1S/C18H20N2O/c1-12-8-9-15-17(13(12)2)20(11-5-10-19)16-7-4-3-6-14(16)18(15)21/h3-4,6-9H,5,10-11,19H2,1-2H3
InChIKey
CFPDEQBPNROZDC-UHFFFAOYSA-N
Compound name
10-(3-aminopropyl)-3,4-dimethylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

244
Patents

280.15756 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 166.3
[M+Na]+ 303.14678 177.6
[M-H]- 279.15028 170.8
[M+NH4]+ 298.19138 183.5
[M+K]+ 319.12072 171.3
[M+H-H2O]+ 263.15482 158.2
[M+HCOO]- 325.15576 188.2
[M+CH3COO]- 339.17141 178.6
[M+Na-2H]- 301.13223 172.7
[M]+ 280.15701 169.7
[M]- 280.15811 169.7
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

patents stripe