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]+ 341.185956 182.7
[M+Na]+ 363.167898 189.7
[M-H]- 339.171404 190.3
[M+NH4]+ 358.212503 203.3
[M+K]+ 379.141838 186.3
[M+H-H2O]+ 323.175940 176.8
[M+HCOO]- 385.176881 203.3
[M+CH3COO]- 399.192531 218.9
[M+Na-2H]- 361.153346 179.9
[M]+ 340.17813142 187.3
[M]- 340.17922858 187.3
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.