CID 120448

Brn 0488011

Structural Information

Molecular Formula

C₁₈H₂₀N₂O

SMILES

CCN(CC)C1C2=CC=CC=C2C(=O)NC3=CC=CC=C13

InChI

InChI=1S/C18H20N2O/c1-3-20(4-2)17-13-9-5-6-10-14(13)18(21)19-16-12-8-7-11-15(16)17/h5-12,17H,3-4H2,1-2H3,(H,19,21)

InChIKey

NTDFCSNCGYXHRW-UHFFFAOYSA-N

Compound name

11-(diethylamino)-5,11-dihydrobenzo[c][1]benzazepin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 280.15756 Da
Monoisotopic Mass: 3.1
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]+	281.164836	164.2
[M+Na]+	303.146778	170.5
[M-H]-	279.150284	169.4
[M+NH4]+	298.191383	180.1
[M+K]+	319.120718	170.0
[M+H-H2O]+	263.154820	157.7
[M+HCOO]-	325.155761	182.8
[M+CH3COO]-	339.171411	175.0
[M+Na-2H]-	301.132226	169.9
[M]+	280.15701142	161.6
[M]-	280.15810858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe