CID 39017

Carbazole, 2-chloro-7-methoxy-9-(2-pyrrolidinoethyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₉H₂₁ClN₂O

SMILES

COC1=CC2=C(C=C1)C3=C(N2CCN4CCCC4)C=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2O/c1-23-15-5-7-17-16-6-4-14(20)12-18(16)22(19(17)13-15)11-10-21-8-2-3-9-21/h4-7,12-13H,2-3,8-11H2,1H3

InChIKey

VRXRRXFSSPSLPX-UHFFFAOYSA-N

Compound name

2-chloro-7-methoxy-9-(2-pyrrolidin-1-ylethyl)carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 328.13425 Da
Monoisotopic Mass: 4.4
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]+	329.141526	179.7
[M+Na]+	351.123468	190.0
[M-H]-	327.126974	185.8
[M+NH4]+	346.168073	197.8
[M+K]+	367.097408	182.8
[M+H-H2O]+	311.131510	171.3
[M+HCOO]-	373.132451	194.8
[M+CH3COO]-	387.148101	191.0
[M+Na-2H]-	349.108916	180.1
[M]+	328.13370142	184.2
[M]-	328.13479858	184.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.