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]+ 294.133576 165.7
[M+Na]+ 316.115518 172.3
[M-H]- 292.119024 171.5
[M+NH4]+ 311.160123 180.1
[M+K]+ 332.089458 171.8
[M+H-H2O]+ 276.123560 158.0
[M+HCOO]- 338.124501 185.8
[M+CH3COO]- 352.140151 201.4
[M+Na-2H]- 314.100966 166.5
[M]+ 293.12575142 170.5
[M]- 293.12684858 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