CID 5390105

Folescutol

Structural Information

Molecular Formula

C₁₄H₁₅NO₅

SMILES

C1COCCN1CC2=CC(=O)OC3=CC(=C(C=C23)O)O

InChI

InChI=1S/C14H15NO5/c16-11-6-10-9(8-15-1-3-19-4-2-15)5-14(18)20-13(10)7-12(11)17/h5-7,16-17H,1-4,8H2

InChIKey

FZRNEERXGKQYPH-UHFFFAOYSA-N

Compound name

6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 118
Patents: 277.09503 Da
Monoisotopic Mass: 0.2
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]+	278.102306	160.3
[M+Na]+	300.084248	168.2
[M-H]-	276.087754	165.4
[M+NH4]+	295.128853	172.0
[M+K]+	316.058188	166.7
[M+H-H2O]+	260.092290	152.2
[M+HCOO]-	322.093231	175.0
[M+CH3COO]-	336.108881	171.3
[M+Na-2H]-	298.069696	166.2
[M]+	277.09448142	160.1
[M]-	277.09557858	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe