CID 604024

Maybridge1_006579

Structural Information

Molecular Formula

C₁₈H₂₄N₂O₂

SMILES

C1CCC2(CC1)CNC3C4(C5=CC=CC=C5N3C2)OCCO4

InChI

InChI=1S/C18H24N2O2/c1-4-8-17(9-5-1)12-19-16-18(21-10-11-22-18)14-6-2-3-7-15(14)20(16)13-17/h2-3,6-7,16,19H,1,4-5,8-13H2

InChIKey

CLGWYEIHVYRXAM-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 300.18378 Da
Monoisotopic Mass: 2.8
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]+	301.191056	170.8
[M+Na]+	323.172998	175.8
[M-H]-	299.176504	175.9
[M+NH4]+	318.217603	189.0
[M+K]+	339.146938	172.2
[M+H-H2O]+	283.181040	161.7
[M+HCOO]-	345.181981	179.0
[M+CH3COO]-	359.197631	179.6
[M+Na-2H]-	321.158446	172.4
[M]+	300.18323142	162.1
[M]-	300.18432858	162.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.