CID 3061365

79038-72-5

Structural Information

Molecular Formula
C15H19NO5
SMILES
CC(=O)CCOC1=CC=C(C=C1)N2CC(OC2=O)COC
InChI
InChI=1S/C15H19NO5/c1-11(17)7-8-20-13-5-3-12(4-6-13)16-9-14(10-19-2)21-15(16)18/h3-6,14H,7-10H2,1-2H3
InChIKey
CTYDNCVXZCANSR-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

293.1263 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 165.7
[M+Na]+ 316.11552 172.3
[M-H]- 292.11902 171.5
[M+NH4]+ 311.16012 180.1
[M+K]+ 332.08946 171.8
[M+H-H2O]+ 276.12356 158.0
[M+HCOO]- 338.12450 185.8
[M+CH3COO]- 352.14015 201.4
[M+Na-2H]- 314.10097 166.5
[M]+ 293.12575 170.5
[M]- 293.12685 170.5
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

patents stripe