CID 471821

Amd3120

Structural Information

Molecular Formula

C₁₈H₄₀N₆

SMILES

C1CNCCNCCCN2CCCNCCNCCCN(C1)CC2

InChI

InChI=1S/C18H40N6/c1-5-19-9-10-20-7-3-15-24-16-4-8-22-12-11-21-6-2-14-23(13-1)17-18-24/h19-22H,1-18H2

InChIKey

IMHDWZDFPJSSAJ-UHFFFAOYSA-N

Compound name

1,5,8,12,16,19-hexazabicyclo[10.10.2]tetracosane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 340.33145 Da
Monoisotopic Mass: -0.4
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]+	341.33873	185.0
[M+Na]+	363.32067	180.5
[M-H]-	339.32417	167.3
[M+NH4]+	358.36527	182.6
[M+K]+	379.29461	176.6
[M+H-H2O]+	323.32871	179.4
[M+HCOO]-	385.32965	177.9
[M+CH3COO]-	399.34530	182.9
[M+Na-2H]-	361.30612	182.6
[M]+	340.33090	158.9
[M]-	340.33200	158.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.