CID 3047491

Sl-d.178

Structural Information

Molecular Formula

C₁₉H₃₁NO₄

SMILES

CC(C)(C)NCC(COC1=CC=C(C=C1)OCCOCC2CC2)O

InChI

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

InChIKey

FKJPQKYUSLNOLX-UHFFFAOYSA-N

Compound name

1-(tert-butylamino)-3-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 337.2253 Da
Monoisotopic Mass: 2.4
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	178.4
[M+Na]+	360.214518	183.0
[M-H]-	336.218024	183.4
[M+NH4]+	355.259123	186.6
[M+K]+	376.188458	179.7
[M+H-H2O]+	320.222560	170.9
[M+HCOO]-	382.223501	198.1
[M+CH3COO]-	396.239151	213.9
[M+Na-2H]-	358.199966	181.2
[M]+	337.22475142	185.4
[M]-	337.22584858	185.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe