CID 6434069

30076-09-6

Structural Information

Molecular Formula
C16H19NO6
SMILES
CC(=O)OC1=C(C=C(C=C1OC)/C=C/C(=O)N2CCCO2)OC
InChI
InChI=1S/C16H19NO6/c1-11(18)23-16-13(20-2)9-12(10-14(16)21-3)5-6-15(19)17-7-4-8-22-17/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+
InChIKey
XUPSCTMGCXAJGL-AATRIKPKSA-N
Compound name
[2,6-dimethoxy-4-[(E)-3-(1,2-oxazolidin-2-yl)-3-oxoprop-1-enyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.12125 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12853 172.2
[M+Na]+ 344.11047 178.5
[M-H]- 320.11397 178.1
[M+NH4]+ 339.15507 185.4
[M+K]+ 360.08441 178.3
[M+H-H2O]+ 304.11851 164.6
[M+HCOO]- 366.11945 191.4
[M+CH3COO]- 380.13510 204.8
[M+Na-2H]- 342.09592 171.6
[M]+ 321.12070 177.3
[M]- 321.12180 177.3
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.