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
1
Annotation Hits

0
References

118
Patents

277.09503 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.