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]+ 339.170336 182.6
[M+Na]+ 361.152278 189.7
[M-H]- 337.155784 190.4
[M+NH4]+ 356.196883 203.2
[M+K]+ 377.126218 186.2
[M+H-H2O]+ 321.160320 177.1
[M+HCOO]- 383.161261 202.4
[M+CH3COO]- 397.176911 218.5
[M+Na-2H]- 359.137726 178.8
[M]+ 338.16251142 185.8
[M]- 338.16360858 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.