CID 11160106

21737-58-6

Structural Information

Molecular Formula

C₁₄H₁₁NO

SMILES

C1C2=CC=CC=C2NC3=CC=CC=C3C1=O

InChI

InChI=1S/C14H11NO/c16-14-9-10-5-1-3-7-12(10)15-13-8-4-2-6-11(13)14/h1-8,15H,9H2

InChIKey

VSZGCLXGCOECAY-UHFFFAOYSA-N

Compound name

6,11-dihydrobenzo[b][1]benzazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 209.08406 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]+	210.09134	142.5
[M+Na]+	232.07328	150.3
[M-H]-	208.07678	146.8
[M+NH4]+	227.11788	160.6
[M+K]+	248.04722	149.0
[M+H-H2O]+	192.08132	137.3
[M+HCOO]-	254.08226	161.0
[M+CH3COO]-	268.09791	154.7
[M+Na-2H]-	230.05873	151.2
[M]+	209.08351	137.7
[M]-	209.08461	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe