CID 26734

14549-32-7

Structural Information

Molecular Formula

C₁₈H₂₉NO₂

SMILES

CCC(C(=O)C1=CC=CC=C1)OCCN(C(C)C)C(C)C

InChI

InChI=1S/C18H29NO2/c1-6-17(18(20)16-10-8-7-9-11-16)21-13-12-19(14(2)3)15(4)5/h7-11,14-15,17H,6,12-13H2,1-5H3

InChIKey

ONQIULKITQJUDK-UHFFFAOYSA-N

Compound name

2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 291.21982 Da
Monoisotopic Mass: 4.1
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]+	292.227096	175.9
[M+Na]+	314.209038	178.0
[M-H]-	290.212544	179.5
[M+NH4]+	309.253643	191.3
[M+K]+	330.182978	177.7
[M+H-H2O]+	274.217080	168.2
[M+HCOO]-	336.218021	195.6
[M+CH3COO]-	350.233671	213.3
[M+Na-2H]-	312.194486	173.8
[M]+	291.21927142	179.3
[M]-	291.22036858	179.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe