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]+ 298.143776 167.5
[M+Na]+ 320.125718 173.7
[M-H]- 296.129224 176.2
[M+NH4]+ 315.170323 184.9
[M+K]+ 336.099658 175.6
[M+H-H2O]+ 280.133760 162.6
[M+HCOO]- 342.134701 188.0
[M+CH3COO]- 356.150351 210.3
[M+Na-2H]- 318.111166 170.6
[M]+ 297.13595142 168.6
[M]- 297.13704858 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.