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]+ 306.17000 171.5
[M+Na]+ 328.15194 175.2
[M-H]- 304.15544 178.0
[M+NH4]+ 323.19654 184.1
[M+K]+ 344.12588 172.8
[M+H-H2O]+ 288.15998 162.9
[M+HCOO]- 350.16092 187.0
[M+CH3COO]- 364.17657 199.8
[M+Na-2H]- 326.13739 171.0
[M]+ 305.16217 168.1
[M]- 305.16327 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.