CID 10383846

Dtxsid50439083

Structural Information

Molecular Formula

C₁₈H₂₅N₅O₃

SMILES

CCOC1=C(C=CC=N1)OCCOC2=NC=CN=C2N3CCNCC3C

InChI

InChI=1S/C18H25N5O3/c1-3-24-17-15(5-4-6-21-17)25-11-12-26-18-16(20-7-8-22-18)23-10-9-19-13-14(23)2/h4-8,14,19H,3,9-13H2,1-2H3

InChIKey

PWXBIEPPLZGIKF-UHFFFAOYSA-N

Compound name

2-[2-(2-ethoxypyridin-3-yl)oxyethoxy]-3-(2-methylpiperazin-1-yl)pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 359.19574 Da
Monoisotopic Mass: 1.6
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]+	360.20302	188.9
[M+Na]+	382.18496	193.7
[M-H]-	358.18846	189.3
[M+NH4]+	377.22956	193.0
[M+K]+	398.15890	188.2
[M+H-H2O]+	342.19300	175.5
[M+HCOO]-	404.19394	200.7
[M+CH3COO]-	418.20959	212.0
[M+Na-2H]-	380.17041	191.6
[M]+	359.19519	188.0
[M]-	359.19629	188.0

Literature stripe

literature stripe

Patent stripe

patents stripe