CID 3047525

Sle-096

Structural Information

Molecular Formula

C₁₉H₃₁NO₄

SMILES

CC(C)NCC(COC1=CC=C(C=C1)OCCOCC2CCC2)O

InChI

InChI=1S/C19H31NO4/c1-15(2)20-12-17(21)14-24-19-8-6-18(7-9-19)23-11-10-22-13-16-4-3-5-16/h6-9,15-17,20-21H,3-5,10-14H2,1-2H3

InChIKey

LCDAELAZMVDIGV-UHFFFAOYSA-N

Compound name

1-[4-[2-(cyclobutylmethoxy)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 337.2253 Da
Monoisotopic Mass: 2.9
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]+	338.232576	184.4
[M+Na]+	360.214518	183.8
[M-H]-	336.218024	187.5
[M+NH4]+	355.259123	189.7
[M+K]+	376.188458	185.4
[M+H-H2O]+	320.222560	169.8
[M+HCOO]-	382.223501	201.7
[M+CH3COO]-	396.239151	215.2
[M+Na-2H]-	358.199966	183.2
[M]+	337.22475142	195.3
[M]-	337.22584858	195.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe