CID 3045134

58328-23-7

Structural Information

Molecular Formula
C14H19NO5
SMILES
CC1CN(CO1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C14H19NO5/c1-9-7-15(8-20-9)14(16)10-5-11(17-2)13(19-4)12(6-10)18-3/h5-6,9H,7-8H2,1-4H3
InChIKey
GGQORPCPXMXWSM-UHFFFAOYSA-N
Compound name
(5-methyl-1,3-oxazolidin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1263 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13358 162.0
[M+Na]+ 304.11552 169.9
[M-H]- 280.11902 168.5
[M+NH4]+ 299.16012 177.5
[M+K]+ 320.08946 170.2
[M+H-H2O]+ 264.12356 154.9
[M+HCOO]- 326.12450 182.3
[M+CH3COO]- 340.14015 199.8
[M+Na-2H]- 302.10097 162.8
[M]+ 281.12575 167.6
[M]- 281.12685 167.6
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.