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

138
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

literature stripe

Patent stripe

patents stripe