CID 115862

63918-75-2

Structural Information

Molecular Formula

C₁₇H₁₉N

SMILES

CC(C)N1CC2=CC=CC=C2C3=CC=CC=C3C1

InChI

InChI=1S/C17H19N/c1-13(2)18-11-14-7-3-5-9-16(14)17-10-6-4-8-15(17)12-18/h3-10,13H,11-12H2,1-2H3

InChIKey

KSOVYSBKYHLXBC-UHFFFAOYSA-N

Compound name

6-propan-2-yl-5,7-dihydrobenzo[d][2]benzazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 237.15175 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]+	238.159026	152.6
[M+Na]+	260.140968	159.1
[M-H]-	236.144474	157.6
[M+NH4]+	255.185573	170.3
[M+K]+	276.114908	158.2
[M+H-H2O]+	220.149010	146.8
[M+HCOO]-	282.149951	170.2
[M+CH3COO]-	296.165601	164.1
[M+Na-2H]-	258.126416	159.0
[M]+	237.15120142	149.2
[M]-	237.15229858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe