CID 478032

Chembl2263586

Structural Information

Molecular Formula

C₂₁H₂₉N₅O₂

SMILES

C1CCN(CC1)C2=CC(=NC3=C2C=CC(=N3)N4CCOCC4)N5CCOCC5

InChI

InChI=1S/C21H29N5O2/c1-2-6-24(7-3-1)18-16-20(26-10-14-28-15-11-26)23-21-17(18)4-5-19(22-21)25-8-12-27-13-9-25/h4-5,16H,1-3,6-15H2

InChIKey

UOYUOPLWJNJNAZ-UHFFFAOYSA-N

Compound name

4-(7-morpholin-4-yl-4-piperidin-1-yl-1,8-naphthyridin-2-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 383.23212 Da
Monoisotopic Mass: 2.6
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]+	384.239396	198.0
[M+Na]+	406.221338	198.9
[M-H]-	382.224844	202.2
[M+NH4]+	401.265943	198.6
[M+K]+	422.195278	194.6
[M+H-H2O]+	366.229380	181.6
[M+HCOO]-	428.230321	200.3
[M+CH3COO]-	442.245971	201.8
[M+Na-2H]-	404.206786	197.8
[M]+	383.23157142	186.9
[M]-	383.23266858	186.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.