CID 4992

Mepyramine

Structural Information

Molecular Formula

C₁₇H₂₃N₃O

SMILES

CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2

InChI

InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3

InChIKey

YECBIJXISLIIDS-UHFFFAOYSA-N

Compound name

N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2223
References: 41832
Patents: 285.1841 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]+	286.19138	169.3
[M+Na]+	308.17332	182.1
[M+NH4]+	303.21792	177.4
[M+K]+	324.14726	174.4
[M-H]-	284.17682	175.1
[M+Na-2H]-	306.15877	178.9
[M]+	285.18355	172.8
[M]-	285.18465	172.8

Literature stripe

literature stripe

Patent stripe

patents stripe