CID 32019

23598-65-4

Structural Information

Molecular Formula
C16H17NO5
SMILES
CCOC(=O)C1=CC=C(C=C1)N2CC(OC2=O)COCC#C
InChI
InChI=1S/C16H17NO5/c1-3-9-20-11-14-10-17(16(19)22-14)13-7-5-12(6-8-13)15(18)21-4-2/h1,5-8,14H,4,9-11H2,2H3
InChIKey
IFIDAWHXNBSEON-UHFFFAOYSA-N
Compound name
ethyl 4-[2-oxo-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-3-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1107 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11798 167.0
[M+Na]+ 326.09992 177.3
[M+NH4]+ 321.14452 169.0
[M+K]+ 342.07386 171.2
[M-H]- 302.10342 160.7
[M+Na-2H]- 324.08537 167.3
[M]+ 303.11015 165.6
[M]- 303.11125 165.6
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.