CID 212714

24740-84-9

Structural Information

Molecular Formula

C₂₀H₁₉NO₃

SMILES

CN(C)CCOC(=O)C1=CC2=CC=CC=C2C(=O)C3=CC=CC=C31

InChI

InChI=1S/C20H19NO3/c1-21(2)11-12-24-20(23)18-13-14-7-3-4-8-15(14)19(22)17-10-6-5-9-16(17)18/h3-10,13H,11-12H2,1-2H3

InChIKey

YVLDDRYYCIWQCE-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 321.1365 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	322.143776	172.7
[M+Na]+	344.125718	180.0
[M-H]-	320.129224	181.1
[M+NH4]+	339.170323	188.8
[M+K]+	360.099658	181.6
[M+H-H2O]+	304.133760	167.0
[M+HCOO]-	366.134701	195.5
[M+CH3COO]-	380.150351	215.4
[M+Na-2H]-	342.111166	178.4
[M]+	321.13595142	176.0
[M]-	321.13704858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.