CID 23452

7032-38-4

Structural Information

Molecular Formula

C₁₈H₂₃N₃

SMILES

CN1CCN(CC1)C2=C3CCCCC3=NC4=CC=CC=C42

InChI

InChI=1S/C18H23N3/c1-20-10-12-21(13-11-20)18-14-6-2-4-8-16(14)19-17-9-5-3-7-15(17)18/h2,4,6,8H,3,5,7,9-13H2,1H3

InChIKey

BHDKLGMXJCGESI-UHFFFAOYSA-N

Compound name

9-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroacridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.1892 Da
Monoisotopic Mass: 3.3
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]+	282.196476	170.0
[M+Na]+	304.178418	175.1
[M-H]-	280.181924	172.4
[M+NH4]+	299.223023	183.1
[M+K]+	320.152358	168.8
[M+H-H2O]+	264.186460	158.3
[M+HCOO]-	326.187401	180.9
[M+CH3COO]-	340.203051	178.3
[M+Na-2H]-	302.163866	174.2
[M]+	281.18865142	162.9
[M]-	281.18974858	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe