CID 127052

6-ethyl-5h-dibenz(c,e)azepine

Structural Information

Molecular Formula

C₁₆H₁₆N

SMILES

CC[N+]1=CC2=CC=CC=C2C3=CC=CC=C3C1

InChI

InChI=1S/C16H16N/c1-2-17-11-13-7-3-5-9-15(13)16-10-6-4-8-14(16)12-17/h3-11H,2,12H2,1H3/q+1

InChIKey

DDMWOUNBKFWGRJ-UHFFFAOYSA-N

Compound name

6-ethyl-7H-benzo[d][2]benzazepin-6-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 222.12828 Da
Monoisotopic Mass: 2.9
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]+	223.13556	151.3
[M+Na]+	245.11750	159.2
[M-H]-	221.12100	157.0
[M+NH4]+	240.16210	169.4
[M+K]+	261.09144	152.9
[M+H-H2O]+	205.12554	148.1
[M+HCOO]-	267.12648	171.1
[M+CH3COO]-	281.14213	187.6
[M+Na-2H]-	243.10295	161.9
[M]+	222.12773	148.4
[M]-	222.12883	148.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.