CID 16217956

890090-63-8

Structural Information

Molecular Formula

C₁₉H₃₂N₂O₄

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(/C=C/C2CCCCC2)C(=O)O

InChI

InChI=1S/C19H32N2O4/c1-19(2,3)25-18(24)21-13-11-20(12-14-21)16(17(22)23)10-9-15-7-5-4-6-8-15/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,22,23)/b10-9+

InChIKey

ALAMTNODLVYHHG-MDZDMXLPSA-N

Compound name

(E)-4-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]but-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 352.2362 Da
Monoisotopic Mass: 1.5
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]+	353.243476	187.9
[M+Na]+	375.225418	187.1
[M-H]-	351.228924	187.7
[M+NH4]+	370.270023	196.5
[M+K]+	391.199358	184.9
[M+H-H2O]+	335.233460	179.2
[M+HCOO]-	397.234401	194.6
[M+CH3COO]-	411.250051	209.5
[M+Na-2H]-	373.210866	184.2
[M]+	352.23565142	180.8
[M]-	352.23674858	180.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.