CID 29711

Dl-11-(2-n-dimethylaminoethyl)-dibenzo(b,e)(1,4)oxazepine hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₀N₂O

SMILES

CN(C)CCC1C2=CC=CC=C2NC3=CC=CC=C3O1

InChI

InChI=1S/C17H20N2O/c1-19(2)12-11-16-13-7-3-4-8-14(13)18-15-9-5-6-10-17(15)20-16/h3-10,16,18H,11-12H2,1-2H3

InChIKey

APZLQOUDYCBAEH-UHFFFAOYSA-N

Compound name

2-(6,11-dihydrobenzo[c][1,5]benzoxazepin-6-yl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.15756 Da
Monoisotopic Mass: 3.4
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]+	269.164836	160.6
[M+Na]+	291.146778	166.3
[M-H]-	267.150284	166.2
[M+NH4]+	286.191383	175.5
[M+K]+	307.120718	167.3
[M+H-H2O]+	251.154820	153.8
[M+HCOO]-	313.155761	178.5
[M+CH3COO]-	327.171411	171.5
[M+Na-2H]-	289.132226	168.0
[M]+	268.15701142	158.5
[M]-	268.15810858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.