CID 162811

N-nitrosodesipramine

Structural Information

Molecular Formula

C₁₈H₂₁N₃O

SMILES

CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)N=O

InChI

InChI=1S/C18H21N3O/c1-20(19-22)13-6-14-21-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)21/h2-5,7-10H,6,11-14H2,1H3

InChIKey

OZJGLIPPPYOOCK-UHFFFAOYSA-N

Compound name

N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 295.16846 Da
Monoisotopic Mass: 5.3
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]+	296.175736	167.7
[M+Na]+	318.157678	173.0
[M-H]-	294.161184	174.9
[M+NH4]+	313.202283	183.5
[M+K]+	334.131618	174.1
[M+H-H2O]+	278.165720	159.7
[M+HCOO]-	340.166661	190.0
[M+CH3COO]-	354.182311	178.7
[M+Na-2H]-	316.143126	175.2
[M]+	295.16791142	167.4
[M]-	295.16900858	167.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.