CID 10566995

143564-89-0

Structural Information

Molecular Formula
C18H17NO4
SMILES
C[C@@H]1C(=O)O[C@@H](N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO4/c1-13-17(20)23-16(15-10-6-3-7-11-15)19(13)18(21)22-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-,16-/m1/s1
InChIKey
USPAXEIEXNCGOJ-CZUORRHYSA-N
Compound name
benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

311.11575 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.123026 171.4
[M+Na]+ 334.104968 178.4
[M-H]- 310.108474 180.7
[M+NH4]+ 329.149573 184.8
[M+K]+ 350.078908 176.1
[M+H-H2O]+ 294.113010 162.7
[M+HCOO]- 356.113951 191.7
[M+CH3COO]- 370.129601 202.9
[M+Na-2H]- 332.090416 172.6
[M]+ 311.11520142 173.0
[M]- 311.11629858 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe