CID 14076877

O-desmethyl pyrilamine

Structural Information

Molecular Formula

C₁₆H₂₁N₃O

SMILES

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

InChI

InChI=1S/C16H21N3O/c1-18(2)11-12-19(16-5-3-4-10-17-16)13-14-6-8-15(20)9-7-14/h3-10,20H,11-13H2,1-2H3

InChIKey

FCFBHFOEKQWQBR-UHFFFAOYSA-N

Compound name

4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 271.16846 Da
Monoisotopic Mass: 2.9
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]+	272.175736	164.7
[M+Na]+	294.157678	169.3
[M-H]-	270.161184	170.9
[M+NH4]+	289.202283	179.2
[M+K]+	310.131618	167.1
[M+H-H2O]+	254.165720	155.1
[M+HCOO]-	316.166661	188.8
[M+CH3COO]-	330.182311	207.9
[M+Na-2H]-	292.143126	169.9
[M]+	271.16791142	165.9
[M]-	271.16900858	165.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.