CID 5688581

4-{[cis-2,6-dimethylmorpholin-4-yl]methyl}-7-hydroxy-2h-chromen-2-one

Structural Information

Molecular Formula
C16H19NO4
SMILES
C[C@@H]1CN(C[C@@H](O1)C)CC2=CC(=O)OC3=C2C=CC(=C3)O
InChI
InChI=1S/C16H19NO4/c1-10-7-17(8-11(2)20-10)9-12-5-16(19)21-15-6-13(18)3-4-14(12)15/h3-6,10-11,18H,7-9H2,1-2H3/t10-,11+
InChIKey
WEQLMQPMEKVDJT-PHIMTYICSA-N
Compound name
4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.138676 167.0
[M+Na]+ 312.120618 175.5
[M-H]- 288.124124 173.5
[M+NH4]+ 307.165223 179.3
[M+K]+ 328.094558 173.8
[M+H-H2O]+ 272.128660 158.6
[M+HCOO]- 334.129601 182.3
[M+CH3COO]- 348.145251 201.1
[M+Na-2H]- 310.106066 171.4
[M]+ 289.13085142 168.2
[M]- 289.13194858 168.2
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.