CID 81959

10,11-dihydro-5h-dibenz(b,f)azepin-5-amine

Structural Information

Molecular Formula

C₁₄H₁₄N₂

SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)N

InChI

InChI=1S/C14H14N2/c15-16-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10,15H2

InChIKey

FCMWBRZJSTVEGU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 210.11569 Da
Monoisotopic Mass: 4.2
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]+	211.122966	144.2
[M+Na]+	233.104908	151.5
[M-H]-	209.108414	149.2
[M+NH4]+	228.149513	162.5
[M+K]+	249.078848	150.7
[M+H-H2O]+	193.112950	138.3
[M+HCOO]-	255.113891	164.1
[M+CH3COO]-	269.129541	156.3
[M+Na-2H]-	231.090356	152.8
[M]+	210.11514142	138.9
[M]-	210.11623858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe