CID 34737

29848-21-3

Structural Information

Molecular Formula

C₂₀H₃₀N₂O₂

SMILES

CC1=CC(=C(C(=C1)C)NC(=O)OC2CCCCC2N3CCCC3)C

InChI

InChI=1S/C20H30N2O2/c1-14-12-15(2)19(16(3)13-14)21-20(23)24-18-9-5-4-8-17(18)22-10-6-7-11-22/h12-13,17-18H,4-11H2,1-3H3,(H,21,23)

InChIKey

MTSXZLVUBAOQBP-UHFFFAOYSA-N

Compound name

(2-pyrrolidin-1-ylcyclohexyl) N-(2,4,6-trimethylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 330.23074 Da
Monoisotopic Mass: 4.5
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]+	331.238016	182.9
[M+Na]+	353.219958	185.7
[M-H]-	329.223464	190.1
[M+NH4]+	348.264563	196.7
[M+K]+	369.193898	181.9
[M+H-H2O]+	313.228000	173.8
[M+HCOO]-	375.228941	199.5
[M+CH3COO]-	389.244591	212.6
[M+Na-2H]-	351.205406	179.1
[M]+	330.23019142	177.8
[M]-	330.23128858	177.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.