CID 68127

Compound 64-92

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₂

SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=NC=C2)N)OC

InChI

InChI=1S/C15H19N3O2/c1-19-14-4-3-11(9-15(14)20-2)5-8-18-13-6-7-17-10-12(13)16/h3-4,6-7,9-10H,5,8,16H2,1-2H3,(H,17,18)

InChIKey

ANCFJXIIXVJDGG-UHFFFAOYSA-N

Compound name

4-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 273.14774 Da
Monoisotopic Mass: 2.1
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]+	274.155016	163.3
[M+Na]+	296.136958	170.4
[M-H]-	272.140464	168.4
[M+NH4]+	291.181563	177.5
[M+K]+	312.110898	166.8
[M+H-H2O]+	256.145000	154.2
[M+HCOO]-	318.145941	187.9
[M+CH3COO]-	332.161591	204.6
[M+Na-2H]-	294.122406	168.5
[M]+	273.14719142	164.8
[M]-	273.14828858	164.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.