CID 13103864

2-hydroxyiminostilbene

Structural Information

Molecular Formula

C₁₄H₁₁NO

SMILES

C1=CC=C2C(=C1)C=CC3=C(N2)C=CC(=C3)O

InChI

InChI=1S/C14H11NO/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14/h1-9,15-16H

InChIKey

FKCUOSGTQJAUQX-UHFFFAOYSA-N

Compound name

11H-benzo[b][1]benzazepin-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 21
Patents: 209.08406 Da
Monoisotopic Mass: 3.6
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	142.9
[M+Na]+	232.07328	151.0
[M-H]-	208.07678	146.2
[M+NH4]+	227.11788	160.5
[M+K]+	248.04722	149.5
[M+H-H2O]+	192.08132	138.1
[M+HCOO]-	254.08226	161.2
[M+CH3COO]-	268.09791	154.9
[M+Na-2H]-	230.05873	152.2
[M]+	209.08351	138.5
[M]-	209.08461	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe