CID 206668

28396-68-1

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

CC1=C(OC2=C1C(=CC=C2)OCC(CNC(C)C)O)C

InChI

InChI=1S/C16H23NO3/c1-10(2)17-8-13(18)9-19-14-6-5-7-15-16(14)11(3)12(4)20-15/h5-7,10,13,17-18H,8-9H2,1-4H3

InChIKey

CWXQPQGCKAUAEY-UHFFFAOYSA-N

Compound name

1-[(2,3-dimethyl-1-benzofuran-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 277.1678 Da
Monoisotopic Mass: 2.8
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]+	278.175076	167.1
[M+Na]+	300.157018	174.5
[M-H]-	276.160524	171.4
[M+NH4]+	295.201623	184.3
[M+K]+	316.130958	172.8
[M+H-H2O]+	260.165060	161.0
[M+HCOO]-	322.166001	188.5
[M+CH3COO]-	336.181651	203.3
[M+Na-2H]-	298.142466	169.4
[M]+	277.16725142	172.7
[M]-	277.16834858	172.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe