CID 43613

61356-06-7

Structural Information

Molecular Formula

C₂₀H₃₀N₂O₃

SMILES

C1CCN(C1)CCOC2CCC(CC2)N3C(=O)C4CC=CCC4C3=O

InChI

InChI=1S/C20H30N2O3/c23-19-17-5-1-2-6-18(17)20(24)22(19)15-7-9-16(10-8-15)25-14-13-21-11-3-4-12-21/h1-2,15-18H,3-14H2

InChIKey

WLCZANLEZKJABS-UHFFFAOYSA-N

Compound name

2-[4-(2-pyrrolidin-1-ylethoxy)cyclohexyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 346.22565 Da
Monoisotopic Mass: 2.1
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]+	347.232926	186.8
[M+Na]+	369.214868	188.7
[M-H]-	345.218374	192.6
[M+NH4]+	364.259473	200.9
[M+K]+	385.188808	184.4
[M+H-H2O]+	329.222910	177.4
[M+HCOO]-	391.223851	198.4
[M+CH3COO]-	405.239501	194.3
[M+Na-2H]-	367.200316	180.3
[M]+	346.22510142	179.6
[M]-	346.22619858	179.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.