CID 366221

Nsc634548

Structural Information

Molecular Formula

C₁₆H₁₃N

SMILES

C1C=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C16H13N/c1-2-8-14(9-3-1)16-15-11-5-4-7-13(15)10-6-12-17-16/h1-11H,12H2

InChIKey

NTBIAIDIHNPCCT-UHFFFAOYSA-N

Compound name

1-phenyl-3H-2-benzazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.1048 Da
Monoisotopic Mass: 3.8
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]+	220.11208	148.0
[M+Na]+	242.09402	155.1
[M-H]-	218.09752	155.2
[M+NH4]+	237.13862	164.8
[M+K]+	258.06796	154.1
[M+H-H2O]+	202.10206	141.5
[M+HCOO]-	264.10300	169.6
[M+CH3COO]-	278.11865	160.3
[M+Na-2H]-	240.07947	156.9
[M]+	219.10425	144.4
[M]-	219.10535	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe