CID 36928

Brn 0412420

Structural Information

Molecular Formula

C₁₇H₂₁ClN₂

SMILES

CCCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN2/c1-2-3-10-19-17-13-6-4-5-7-15(13)20-16-9-8-12(18)11-14(16)17/h8-9,11H,2-7,10H2,1H3,(H,19,20)

InChIKey

QTHNMRUKIXNVEL-UHFFFAOYSA-N

Compound name

N-butyl-7-chloro-1,2,3,4-tetrahydroacridin-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.1393 Da
Monoisotopic Mass: 5.3
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]+	289.146576	167.0
[M+Na]+	311.128518	174.4
[M-H]-	287.132024	169.8
[M+NH4]+	306.173123	184.2
[M+K]+	327.102458	167.4
[M+H-H2O]+	271.136560	159.3
[M+HCOO]-	333.137501	180.6
[M+CH3COO]-	347.153151	177.4
[M+Na-2H]-	309.113966	172.9
[M]+	288.13875142	167.3
[M]-	288.13984858	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.