CID 39847

Brn 1152560

Structural Information

Molecular Formula
C16H23NO5
SMILES
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCOC2
InChI
InChI=1S/C16H23NO5/c1-4-20-13-9-12(16(18)17-7-8-19-11-17)10-14(21-5-2)15(13)22-6-3/h9-10H,4-8,11H2,1-3H3
InChIKey
RAAQEDBVHVGGAB-UHFFFAOYSA-N
Compound name
1,3-oxazolidin-3-yl-(3,4,5-triethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15762 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16490 171.8
[M+Na]+ 332.14684 177.8
[M-H]- 308.15034 177.5
[M+NH4]+ 327.19144 185.7
[M+K]+ 348.12078 177.7
[M+H-H2O]+ 292.15488 163.9
[M+HCOO]- 354.15582 191.4
[M+CH3COO]- 368.17147 204.4
[M+Na-2H]- 330.13229 172.1
[M]+ 309.15707 177.6
[M]- 309.15817 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.