CID 50910

69844-10-6

Structural Information

Molecular Formula
C20H22N2O3
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4
InChI
InChI=1S/C20H22N2O3/c1-3-21(4-2)18(23)12-7-9-15(10-8-12)22-19(24)16-13-5-6-14(11-13)17(16)20(22)25/h5-10,13-14,16-17H,3-4,11H2,1-2H3
InChIKey
PCKWFXPZWIADJV-UHFFFAOYSA-N
Compound name
4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N,N-diethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.16306 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 182.6
[M+Na]+ 361.15228 189.7
[M-H]- 337.15578 190.4
[M+NH4]+ 356.19688 203.2
[M+K]+ 377.12622 186.2
[M+H-H2O]+ 321.16032 177.1
[M+HCOO]- 383.16126 202.4
[M+CH3COO]- 397.17691 218.5
[M+Na-2H]- 359.13773 178.8
[M]+ 338.16251 185.8
[M]- 338.16361 185.8
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

No patent data available for this compound.