CID 9948896

Azonafide

Structural Information

Molecular Formula
C20H18N2O2
SMILES
CN(C)CCN1C(=O)C2=CC=CC3=CC4=CC=CC=C4C(=C32)C1=O
InChI
InChI=1S/C20H18N2O2/c1-21(2)10-11-22-19(23)16-9-5-7-14-12-13-6-3-4-8-15(13)18(17(14)16)20(22)24/h3-9,12H,10-11H2,1-2H3
InChIKey
CWNBRNSIRVKSDC-UHFFFAOYSA-N
Compound name
15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

1438
Patents

318.13684 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14412 174.2
[M+Na]+ 341.12606 183.5
[M-H]- 317.12956 179.8
[M+NH4]+ 336.17066 191.0
[M+K]+ 357.10000 178.5
[M+H-H2O]+ 301.13410 164.6
[M+HCOO]- 363.13504 193.4
[M+CH3COO]- 377.15069 185.5
[M+Na-2H]- 339.11151 181.2
[M]+ 318.13629 178.5
[M]- 318.13739 178.5
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.