CID 3053389

69844-18-4

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CN(C)CCCOC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4
InChI
InChI=1S/C20H24N2O3/c1-21(2)10-3-11-25-16-8-6-15(7-9-16)22-19(23)17-13-4-5-14(12-13)18(17)20(22)24/h4-9,13-14,17-18H,3,10-12H2,1-2H3
InChIKey
NFAGGIWIQRIWNR-UHFFFAOYSA-N
Compound name
4-[4-[3-(dimethylamino)propoxy]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 181.0
[M+Na]+ 363.16790 189.7
[M+NH4]+ 358.21250 188.8
[M+K]+ 379.14184 189.0
[M-H]- 339.17140 183.1
[M+Na-2H]- 361.15335 181.7
[M]+ 340.17813 182.5
[M]- 340.17923 182.5
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.