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

9
Annotation Hits: 2223
References: 60598
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]+	286.191376	169.3
[M+Na]+	308.173318	173.9
[M-H]-	284.176824	176.7
[M+NH4]+	303.217923	184.0
[M+K]+	324.147258	172.3
[M+H-H2O]+	268.181360	159.1
[M+HCOO]-	330.182301	194.5
[M+CH3COO]-	344.197951	213.4
[M+Na-2H]-	306.158766	174.4
[M]+	285.18355142	172.7
[M]-	285.18464858	172.7

Literature stripe

literature stripe

Patent stripe

patents stripe