CID 10447719

Nexeridine

Structural Information

Molecular Formula

C₁₉H₂₉NO₂

SMILES

CC(CN(C)C)C1(CCCCC1C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C19H29NO2/c1-15(14-20(3)4)19(22-16(2)21)13-9-8-12-18(19)17-10-6-5-7-11-17/h5-7,10-11,15,18H,8-9,12-14H2,1-4H3

InChIKey

TVQPXLMQOZWEBA-UHFFFAOYSA-N

Compound name

[1-[1-(dimethylamino)propan-2-yl]-2-phenylcyclohexyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 781
Patents: 303.21982 Da
Monoisotopic Mass: 4.0
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]+	304.227096	176.0
[M+Na]+	326.209038	178.2
[M-H]-	302.212544	182.5
[M+NH4]+	321.253643	192.7
[M+K]+	342.182978	177.0
[M+H-H2O]+	286.217080	168.2
[M+HCOO]-	348.218021	194.5
[M+CH3COO]-	362.233671	211.3
[M+Na-2H]-	324.194486	176.0
[M]+	303.21927142	174.6
[M]-	303.22036858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe