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 172.1
[M+Na]+ 336.15702 179.5
[M-H]- 312.16052 176.8
[M+NH4]+ 331.20162 183.6
[M+K]+ 352.13096 173.0
[M+H-H2O]+ 296.16506 157.2
[M+HCOO]- 358.16600 183.2
[M+CH3COO]- 372.18165 208.8
[M+Na-2H]- 334.14247 170.4
[M]+ 313.16725 163.6
[M]- 313.16835 163.6
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.