CID 13481174

103607-53-0

Structural Information

Molecular Formula

C₁₉H₂₄N₄O₂

SMILES

CC(C)NCC(COC1=NC=CC(=C1C#N)NCC2=CC=CC=C2)O

InChI

InChI=1S/C19H24N4O2/c1-14(2)22-12-16(24)13-25-19-17(10-20)18(8-9-21-19)23-11-15-6-4-3-5-7-15/h3-9,14,16,22,24H,11-13H2,1-2H3,(H,21,23)

InChIKey

YGLXAOXMBNORSL-UHFFFAOYSA-N

Compound name

4-(benzylamino)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 340.1899 Da
Monoisotopic Mass: 2.7
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]+	341.197176	184.4
[M+Na]+	363.179118	189.6
[M-H]-	339.182624	186.1
[M+NH4]+	358.223723	193.2
[M+K]+	379.153058	184.9
[M+H-H2O]+	323.187160	168.3
[M+HCOO]-	385.188101	200.8
[M+CH3COO]-	399.203751	225.1
[M+Na-2H]-	361.164566	185.7
[M]+	340.18935142	179.0
[M]-	340.19044858	179.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.