CID 17989633

681211-37-0

Structural Information

Molecular Formula

C₁₉H₂₆ClN₃

SMILES

C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NCCCCCCN

InChI

InChI=1S/C19H26ClN3/c20-14-9-10-16-18(13-14)23-17-8-4-3-7-15(17)19(16)22-12-6-2-1-5-11-21/h9-10,13H,1-8,11-12,21H2,(H,22,23)

InChIKey

LJSPSBVUMABUDW-UHFFFAOYSA-N

Compound name

N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 331.18152 Da
Monoisotopic Mass: 4.5
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]+	332.18880	179.1
[M+Na]+	354.17074	184.8
[M-H]-	330.17424	180.9
[M+NH4]+	349.21534	193.9
[M+K]+	370.14468	177.1
[M+H-H2O]+	314.17878	170.9
[M+HCOO]-	376.17972	192.5
[M+CH3COO]-	390.19537	187.8
[M+Na-2H]-	352.15619	183.6
[M]+	331.18097	178.6
[M]-	331.18207	178.6

Literature stripe

literature stripe

Patent stripe

patents stripe