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-[[(2R,6S)-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]+ 290.13868 167.0
[M+Na]+ 312.12062 175.5
[M-H]- 288.12412 173.5
[M+NH4]+ 307.16522 179.3
[M+K]+ 328.09456 173.8
[M+H-H2O]+ 272.12866 158.6
[M+HCOO]- 334.12960 182.3
[M+CH3COO]- 348.14525 201.1
[M+Na-2H]- 310.10607 171.4
[M]+ 289.13085 168.2
[M]- 289.13195 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.