CID 115856

63918-68-3

Structural Information

Molecular Formula

C₂₀H₂₃N

SMILES

C1CCC(CC1)N2CC3=CC=CC=C3C4=CC=CC=C4C2

InChI

InChI=1S/C20H23N/c1-2-10-18(11-3-1)21-14-16-8-4-6-12-19(16)20-13-7-5-9-17(20)15-21/h4-9,12-13,18H,1-3,10-11,14-15H2

InChIKey

IUWNEWJWRCZZLG-UHFFFAOYSA-N

Compound name

6-cyclohexyl-5,7-dihydrobenzo[d][2]benzazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 277.18304 Da
Monoisotopic Mass: 4.8
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]+	278.190316	166.1
[M+Na]+	300.172258	169.9
[M-H]-	276.175764	172.6
[M+NH4]+	295.216863	181.3
[M+K]+	316.146198	167.2
[M+H-H2O]+	260.180300	158.5
[M+HCOO]-	322.181241	180.6
[M+CH3COO]-	336.196891	175.4
[M+Na-2H]-	298.157706	170.8
[M]+	277.18249142	157.3
[M]-	277.18358858	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe