CID 796695

72012-83-0

Structural Information

Molecular Formula
C19H19NO2
SMILES
C1CC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CC=C4)C(=O)C1
InChI
InChI=1S/C19H19NO2/c21-15-10-4-8-13-18(15)17(12-6-2-1-3-7-12)19-14(20-13)9-5-11-16(19)22/h1-3,6-7,17,20H,4-5,8-11H2
InChIKey
OYPIMRRBVHIMLW-UHFFFAOYSA-N
Compound name
9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

293.14157 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14885 168.1
[M+Na]+ 316.13079 173.6
[M-H]- 292.13429 172.5
[M+NH4]+ 311.17539 182.8
[M+K]+ 332.10473 167.0
[M+H-H2O]+ 276.13883 158.9
[M+HCOO]- 338.13977 180.7
[M+CH3COO]- 352.15542 177.2
[M+Na-2H]- 314.11624 171.1
[M]+ 293.14102 160.6
[M]- 293.14212 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.