CID 255769

22776-66-5

Structural Information

Molecular Formula

C₂₀H₁₅NO₂

SMILES

CC1(C2C3=C(C4=CC=CC=C4N=C3C5=CC=CC=C51)C(=O)O2)C

InChI

InChI=1S/C20H15NO2/c1-20(2)13-9-5-3-7-11(13)17-16-15(19(22)23-18(16)20)12-8-4-6-10-14(12)21-17/h3-10,18H,1-2H3

InChIKey

GUNPHVUQXWLBBL-UHFFFAOYSA-N

Compound name

8,8-dimethyl-10-oxa-19-azapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(19),2,4,6,12(20),13,15,17-octaen-11-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.1103 Da
Monoisotopic Mass: 4.2
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]+	302.117576	169.1
[M+Na]+	324.099518	180.7
[M-H]-	300.103024	175.6
[M+NH4]+	319.144123	189.9
[M+K]+	340.073458	175.2
[M+H-H2O]+	284.107560	160.4
[M+HCOO]-	346.108501	184.9
[M+CH3COO]-	360.124151	181.3
[M+Na-2H]-	322.084966	176.1
[M]+	301.10975142	172.5
[M]-	301.11084858	172.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.