CID 71772

Mitoquidone

Structural Information

Molecular Formula
C20H13NO2
SMILES
C1C2=CC=CC=C2CN3C1=C4C(=C3)C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C20H13NO2/c22-19-14-7-3-4-8-15(14)20(23)18-16(19)11-21-10-13-6-2-1-5-12(13)9-17(18)21/h1-8,11H,9-10H2
InChIKey
BFRVNBMAWXNICS-UHFFFAOYSA-N
Compound name
11-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1,4,6,8,12,15,17,19-octaene-14,21-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1341
Patents

299.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10192 167.1
[M+Na]+ 322.08386 177.6
[M-H]- 298.08736 173.3
[M+NH4]+ 317.12846 186.7
[M+K]+ 338.05780 170.4
[M+H-H2O]+ 282.09190 158.7
[M+HCOO]- 344.09284 183.9
[M+CH3COO]- 358.10849 178.8
[M+Na-2H]- 320.06931 172.5
[M]+ 299.09409 167.1
[M]- 299.09519 167.1
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.