CID 172879909

Chebi:233179

Structural Information

Molecular Formula

C₂₀H₂₈N₂O₃

SMILES

CN[C@H]1CC2(CCC(=O)CC2)N(C1)[C@@H](CC3=CC=C(C=C3)OC)C=O

InChI

InChI=1S/C20H28N2O3/c1-21-16-12-20(9-7-18(24)8-10-20)22(13-16)17(14-23)11-15-3-5-19(25-2)6-4-15/h3-6,14,16-17,21H,7-13H2,1-2H3/t16-,17-/m0/s1

InChIKey

QHROAFYTLYNBEG-IRXDYDNUSA-N

Compound name

(2S)-3-(4-methoxyphenyl)-2-[(3S)-3-(methylamino)-8-oxo-1-azaspiro[4.5]decan-1-yl]propanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 344.21 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]+	345.217276	183.5
[M+Na]+	367.199218	187.1
[M-H]-	343.202724	189.7
[M+NH4]+	362.243823	198.8
[M+K]+	383.173158	183.3
[M+H-H2O]+	327.207260	174.9
[M+HCOO]-	389.208201	200.4
[M+CH3COO]-	403.223851	213.8
[M+Na-2H]-	365.184666	182.4
[M]+	344.20945142	180.0
[M]-	344.21054858	180.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.