CID 3039678

Brn 1167569

Structural Information

Molecular Formula
C16H21NO7
SMILES
CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)N2CCCCO2)OC
InChI
InChI=1S/C16H21NO7/c1-4-22-16(19)24-14-12(20-2)9-11(10-13(14)21-3)15(18)17-7-5-6-8-23-17/h9-10H,4-8H2,1-3H3
InChIKey
JOFOKQGHHYVOGI-UHFFFAOYSA-N
Compound name
[2,6-dimethoxy-4-(oxazinane-2-carbonyl)phenyl] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1318 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13908 176.1
[M+Na]+ 362.12102 186.1
[M+NH4]+ 357.16562 180.4
[M+K]+ 378.09496 183.0
[M-H]- 338.12452 177.7
[M+Na-2H]- 360.10647 179.0
[M]+ 339.13125 177.6
[M]- 339.13235 177.6
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.