CID 211832

23598-57-4

Structural Information

Molecular Formula
C17H21NO3
SMILES
CC1=C(C=C(C=C1)C(C)C)N2CC(OC2=O)COCC#C
InChI
InChI=1S/C17H21NO3/c1-5-8-20-11-15-10-18(17(19)21-15)16-9-14(12(2)3)7-6-13(16)4/h1,6-7,9,12,15H,8,10-11H2,2-4H3
InChIKey
PAXKIIHKJHZCSR-UHFFFAOYSA-N
Compound name
3-(2-methyl-5-propan-2-ylphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 163.7
[M+Na]+ 310.14135 173.3
[M-H]- 286.14485 167.1
[M+NH4]+ 305.18595 177.0
[M+K]+ 326.11529 169.1
[M+H-H2O]+ 270.14939 150.1
[M+HCOO]- 332.15033 177.2
[M+CH3COO]- 346.16598 209.2
[M+Na-2H]- 308.12680 162.4
[M]+ 287.15158 160.9
[M]- 287.15268 160.9
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.