CID 9212

Iminostilbene

Structural Information

Molecular Formula

C₁₄H₁₁N

SMILES

C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2

InChI

InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H

InChIKey

LCGTWRLJTMHIQZ-UHFFFAOYSA-N

Compound name

11H-benzo[b][1]benzazepine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 152
References: 9463
Patents: 193.08914 Da
Monoisotopic Mass: 4.0
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]+	194.096416	139.0
[M+Na]+	216.078358	146.8
[M-H]-	192.081864	143.2
[M+NH4]+	211.122963	157.6
[M+K]+	232.052298	145.0
[M+H-H2O]+	176.086400	133.9
[M+HCOO]-	238.087341	158.5
[M+CH3COO]-	252.102991	151.4
[M+Na-2H]-	214.063806	149.4
[M]+	193.08859142	134.5
[M]-	193.08968858	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe