CID 57153

Brn 1394897

Structural Information

Molecular Formula

C₂₁H₂₆N₂O

SMILES

COC1CCN(CC1)CCCN2C3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C21H26N2O/c1-24-17-11-15-22(16-12-17)13-6-14-23-20-9-4-2-7-18(20)19-8-3-5-10-21(19)23/h2-5,7-10,17H,6,11-16H2,1H3

InChIKey

FHGMLMBYDSCIPM-UHFFFAOYSA-N

Compound name

9-[3-(4-methoxypiperidin-1-yl)propyl]carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 322.2045 Da
Monoisotopic Mass: 4.1
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]+	323.211776	179.4
[M+Na]+	345.193718	186.1
[M-H]-	321.197224	184.3
[M+NH4]+	340.238323	194.5
[M+K]+	361.167658	179.7
[M+H-H2O]+	305.201760	169.2
[M+HCOO]-	367.202701	196.2
[M+CH3COO]-	381.218351	189.1
[M+Na-2H]-	343.179166	182.2
[M]+	322.20395142	179.5
[M]-	322.20504858	179.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe