CID 3061373

79039-08-0

Structural Information

Molecular Formula
C19H23NO3
SMILES
COCC1CN(C(=O)O1)C2=CC=C(C=C2)C#CC3CCCCC3
InChI
InChI=1S/C19H23NO3/c1-22-14-18-13-20(19(21)23-18)17-11-9-16(10-12-17)8-7-15-5-3-2-4-6-15/h9-12,15,18H,2-6,13-14H2,1H3
InChIKey
RLASHAGLKSPKCV-UHFFFAOYSA-N
Compound name
3-[4-(2-cyclohexylethynyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 176.9
[M+Na]+ 336.15702 188.0
[M+NH4]+ 331.20162 180.7
[M+K]+ 352.13096 179.5
[M-H]- 312.16052 173.8
[M+Na-2H]- 334.14247 178.7
[M]+ 313.16725 176.7
[M]- 313.16835 176.7
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.