CID 206508

Brn 1029999

Structural Information

Molecular Formula

C₂₀H₁₇NO₃

SMILES

CC1=CC=C(C=C1)C(=O)N2C3=C(CCC3)C4=CC5=C(C=C42)OCO5

InChI

InChI=1S/C20H17NO3/c1-12-5-7-13(8-6-12)20(22)21-16-4-2-3-14(16)15-9-18-19(10-17(15)21)24-11-23-18/h5-10H,2-4,11H2,1H3

InChIKey

NENOBKWTSGGIIR-UHFFFAOYSA-N

Compound name

4,6-dioxa-15-azatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10(14)-tetraen-15-yl-(4-methylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 319.12085 Da
Monoisotopic Mass: 4.4
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]+	320.128126	172.7
[M+Na]+	342.110068	183.0
[M-H]-	318.113574	183.6
[M+NH4]+	337.154673	191.7
[M+K]+	358.084008	180.3
[M+H-H2O]+	302.118110	168.1
[M+HCOO]-	364.119051	191.8
[M+CH3COO]-	378.134701	185.7
[M+Na-2H]-	340.095516	173.1
[M]+	319.12030142	177.5
[M]-	319.12139858	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.