CID 81183

6672-69-1

Structural Information

Molecular Formula

C₁₄H₁₃N

SMILES

C1C2=CC=CC=C2C3=CC=CC=C3CN1

InChI

InChI=1S/C14H13N/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14(12)13/h1-8,15H,9-10H2

InChIKey

FHYFQRCUSZETDW-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-benzo[d][2]benzazepine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 140
Patents: 195.1048 Da
Monoisotopic Mass: 2.5
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]+	196.11208	139.9
[M+Na]+	218.09402	146.6
[M-H]-	194.09752	143.7
[M+NH4]+	213.13862	158.3
[M+K]+	234.06796	145.0
[M+H-H2O]+	178.10206	134.7
[M+HCOO]-	240.10300	158.0
[M+CH3COO]-	254.11865	151.8
[M+Na-2H]-	216.07947	149.3
[M]+	195.10425	134.0
[M]-	195.10535	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe