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]+ 288.159406 163.7
[M+Na]+ 310.141348 173.3
[M-H]- 286.144854 167.1
[M+NH4]+ 305.185953 177.0
[M+K]+ 326.115288 169.1
[M+H-H2O]+ 270.149390 150.1
[M+HCOO]- 332.150331 177.2
[M+CH3COO]- 346.165981 209.2
[M+Na-2H]- 308.126796 162.4
[M]+ 287.15158142 160.9
[M]- 287.15267858 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.