CID 9922512

(s)-ethyl 2-((s)-4-methyl-2,5-dioxooxazolidin-3-yl)-4-phenylbutanoate

Structural Information

Molecular Formula
C16H19NO5
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N2[C@H](C(=O)OC2=O)C
InChI
InChI=1S/C16H19NO5/c1-3-21-15(19)13(10-9-12-7-5-4-6-8-12)17-11(2)14(18)22-16(17)20/h4-8,11,13H,3,9-10H2,1-2H3/t11-,13-/m0/s1
InChIKey
GFZFELCFSBCPDB-AAEUAGOBSA-N
Compound name
ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

305.1263 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13358 169.3
[M+Na]+ 328.11552 175.7
[M-H]- 304.11902 175.2
[M+NH4]+ 323.16012 183.2
[M+K]+ 344.08946 174.8
[M+H-H2O]+ 288.12356 161.8
[M+HCOO]- 350.12450 188.3
[M+CH3COO]- 364.14015 203.9
[M+Na-2H]- 326.10097 168.6
[M]+ 305.12575 173.1
[M]- 305.12685 173.1
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

patents stripe