CID 383922

Nsc672878

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

CN1CCC2=CC(=C(C=C2C(O1)C(=C)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C20H23NO3/c1-14(15-8-6-5-7-9-15)20-17-13-19(23-4)18(22-3)12-16(17)10-11-21(2)24-20/h5-9,12-13,20H,1,10-11H2,2-4H3

InChIKey

XIPDQXDTQNIVFS-UHFFFAOYSA-N

Compound name

7,8-dimethoxy-3-methyl-1-(1-phenylethenyl)-4,5-dihydro-1H-2,3-benzoxazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1678 Da
Monoisotopic Mass: 4.5
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]+	326.175076	175.4
[M+Na]+	348.157018	181.1
[M-H]-	324.160524	183.0
[M+NH4]+	343.201623	187.2
[M+K]+	364.130958	182.9
[M+H-H2O]+	308.165060	167.7
[M+HCOO]-	370.166001	191.8
[M+CH3COO]-	384.181651	211.8
[M+Na-2H]-	346.142466	177.8
[M]+	325.16725142	174.9
[M]-	325.16834858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.