CID 3068506

83494-75-1

Structural Information

Molecular Formula
C18H19NO3
SMILES
CCN(CC)C(=O)C1=COC2=C1C(=O)C3=CC=CC=C3CC2
InChI
InChI=1S/C18H19NO3/c1-3-19(4-2)18(21)14-11-22-15-10-9-12-7-5-6-8-13(12)17(20)16(14)15/h5-8,11H,3-4,9-10H2,1-2H3
InChIKey
PPBZMESPFOWJQH-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-oxo-6-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 167.5
[M+Na]+ 320.12572 173.7
[M-H]- 296.12922 176.2
[M+NH4]+ 315.17032 184.9
[M+K]+ 336.09966 175.6
[M+H-H2O]+ 280.13376 162.6
[M+HCOO]- 342.13470 188.0
[M+CH3COO]- 356.15035 210.3
[M+Na-2H]- 318.11117 170.6
[M]+ 297.13595 168.6
[M]- 297.13705 168.6
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.