CID 10522660

Ethonafide

Structural Information

Molecular Formula
C22H22N2O3
SMILES
CCOC1=C2C=CC=C3C2=C(C4=CC=CC=C41)C(=O)N(C3=O)CCN(C)C
InChI
InChI=1S/C22H22N2O3/c1-4-27-20-15-9-6-5-8-14(15)19-18-16(20)10-7-11-17(18)21(25)24(22(19)26)13-12-23(2)3/h5-11H,4,12-13H2,1-3H3
InChIKey
CQZISUJEDPJJNF-UHFFFAOYSA-N
Compound name
15-[2-(dimethylamino)ethyl]-8-ethoxy-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
2
Annotation Hits

4
References

25
Patents

362.16306 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17034 185.9
[M+Na]+ 385.15228 201.7
[M+NH4]+ 380.19688 194.4
[M+K]+ 401.12622 192.6
[M-H]- 361.15578 189.9
[M+Na-2H]- 383.13773 190.7
[M]+ 362.16251 189.4
[M]- 362.16361 189.4
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