CID 37965

Dtxsid00959140

Structural Information

Molecular Formula

C₂₁H₃₂N₂O₃

SMILES

CCCCOC1=CC=C(C=C1)NC(=O)OC2CCC(CC2)N3CCCC3

InChI

InChI=1S/C21H32N2O3/c1-2-3-16-25-19-10-6-17(7-11-19)22-21(24)26-20-12-8-18(9-13-20)23-14-4-5-15-23/h6-7,10-11,18,20H,2-5,8-9,12-16H2,1H3,(H,22,24)

InChIKey

OJWJKNGDXWNODA-UHFFFAOYSA-N

Compound name

(4-pyrrolidin-1-ylcyclohexyl) N-(4-butoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 360.2413 Da
Monoisotopic Mass: 4.6
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]+	361.248576	189.3
[M+Na]+	383.230518	189.5
[M-H]-	359.234024	195.4
[M+NH4]+	378.275123	201.0
[M+K]+	399.204458	186.1
[M+H-H2O]+	343.238560	179.2
[M+HCOO]-	405.239501	205.7
[M+CH3COO]-	419.255151	215.2
[M+Na-2H]-	381.215966	186.5
[M]+	360.24075142	185.1
[M]-	360.24184858	185.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.