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

1444
Patents

318.13684 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.144116 174.2
[M+Na]+ 341.126058 183.5
[M-H]- 317.129564 179.8
[M+NH4]+ 336.170663 191.0
[M+K]+ 357.099998 178.5
[M+H-H2O]+ 301.134100 164.6
[M+HCOO]- 363.135041 193.4
[M+CH3COO]- 377.150691 185.5
[M+Na-2H]- 339.111506 181.2
[M]+ 318.13629142 178.5
[M]- 318.13738858 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

literature stripe

Patent stripe

patents stripe