CID 20059462

Rociverine

Structural Information

Molecular Formula

C₂₀H₃₇NO₃

SMILES

CCN(CC)CC(C)OC(=O)C1CCCCC1(C2CCCCC2)O

InChI

InChI=1S/C20H37NO3/c1-4-21(5-2)15-16(3)24-19(22)18-13-9-10-14-20(18,23)17-11-7-6-8-12-17/h16-18,23H,4-15H2,1-3H3

InChIKey

XPYLKZZOBVLVHB-UHFFFAOYSA-N

Compound name

1-(diethylamino)propan-2-yl 2-cyclohexyl-2-hydroxycyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 31
References: 1190
Patents: 339.27734 Da
Monoisotopic Mass: 4.8
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]+	340.28462	187.5
[M+Na]+	362.26656	193.3
[M+NH4]+	357.31116	195.3
[M+K]+	378.24050	186.3
[M-H]-	338.27006	190.0
[M+Na-2H]-	360.25201	190.8
[M]+	339.27679	188.7
[M]-	339.27789	188.7

Literature stripe

literature stripe

Patent stripe

patents stripe