CID 210174

21102-97-6

Structural Information

Molecular Formula

C₂₃H₃₃N₃O₃

SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)CC4(CCCC4)CC3=O

InChI

InChI=1S/C23H33N3O3/c1-29-20-8-3-2-7-19(20)25-15-13-24(14-16-25)11-6-12-26-21(27)17-23(18-22(26)28)9-4-5-10-23/h2-3,7-8H,4-6,9-18H2,1H3

InChIKey

NGKZRYQYMHFGRK-UHFFFAOYSA-N

Compound name

8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 399.2522 Da
Monoisotopic Mass: 3.2
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]+	400.259476	201.5
[M+Na]+	422.241418	203.8
[M-H]-	398.244924	206.9
[M+NH4]+	417.286023	211.2
[M+K]+	438.215358	198.5
[M+H-H2O]+	382.249460	189.0
[M+HCOO]-	444.250401	211.3
[M+CH3COO]-	458.266051	207.5
[M+Na-2H]-	420.226866	197.0
[M]+	399.25165142	194.4
[M]-	399.25274858	194.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.