CID 4100565

3,4-dihydro-1,9(2h,10h)-acridinedione

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1CC2=C(C(=O)C1)C(=O)C3=CC=CC=C3N2
InChI
InChI=1S/C13H11NO2/c15-11-7-3-6-10-12(11)13(16)8-4-1-2-5-9(8)14-10/h1-2,4-5H,3,6-7H2,(H,14,16)
InChIKey
YGMIHUBFTQHKJX-UHFFFAOYSA-N
Compound name
2,3,4,10-tetrahydroacridine-1,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08626 144.3
[M+Na]+ 236.06820 159.2
[M+NH4]+ 231.11280 153.6
[M+K]+ 252.04214 151.4
[M-H]- 212.07170 147.0
[M+Na-2H]- 234.05365 150.5
[M]+ 213.07843 147.2
[M]- 213.07953 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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