CID 3049202

Brn 1150577

Structural Information

Molecular Formula
C17H23NO4
SMILES
C1CCC(CC1)COC2=CC=C(C=C2)N3CC(OC3=O)CO
InChI
InChI=1S/C17H23NO4/c19-11-16-10-18(17(20)22-16)14-6-8-15(9-7-14)21-12-13-4-2-1-3-5-13/h6-9,13,16,19H,1-5,10-12H2
InChIKey
ZETYNNMGLBGZMI-UHFFFAOYSA-N
Compound name
3-[4-(cyclohexylmethoxy)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.16272 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.169996 171.5
[M+Na]+ 328.151938 175.2
[M-H]- 304.155444 178.0
[M+NH4]+ 323.196543 184.1
[M+K]+ 344.125878 172.8
[M+H-H2O]+ 288.159980 162.9
[M+HCOO]- 350.160921 187.0
[M+CH3COO]- 364.176571 199.8
[M+Na-2H]- 326.137386 171.0
[M]+ 305.16217142 168.1
[M]- 305.16326858 168.1
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.