CID 45698

63956-96-7

Structural Information

Molecular Formula

C₁₉H₂₉NO₅

SMILES

CC1CC2=C(O1)C(=C3C(=C(CCO3)O)C2)OCC(CNC(C)(C)C)O

InChI

InChI=1S/C19H29NO5/c1-11-7-12-8-14-15(22)5-6-23-17(14)18(16(12)25-11)24-10-13(21)9-20-19(2,3)4/h11,13,20-22H,5-10H2,1-4H3

InChIKey

FNZSENKPMLMPDI-UHFFFAOYSA-N

Compound name

9-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-3,4,6,7-tetrahydro-2H-furo[3,2-g]chromen-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.20456 Da
Monoisotopic Mass: 0.6
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]+	352.211836	185.1
[M+Na]+	374.193778	189.4
[M-H]-	350.197284	188.3
[M+NH4]+	369.238383	198.1
[M+K]+	390.167718	188.7
[M+H-H2O]+	334.201820	179.9
[M+HCOO]-	396.202761	196.6
[M+CH3COO]-	410.218411	214.3
[M+Na-2H]-	372.179226	187.6
[M]+	351.20401142	187.1
[M]-	351.20510858	187.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.