CID 10064027

147700-91-2

Structural Information

Molecular Formula
C18H17NO4
SMILES
C1[C@@H](N(CC(=O)O1)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO4/c20-17-11-19(16(13-22-17)15-9-5-2-6-10-15)18(21)23-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m1/s1
InChIKey
XIQFZWUXPOOQCF-MRXNPFEDSA-N
Compound name
benzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.11575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 172.0
[M+Na]+ 334.10497 186.1
[M+NH4]+ 329.14957 179.1
[M+K]+ 350.07891 179.3
[M-H]- 310.10847 178.2
[M+Na-2H]- 332.09042 180.4
[M]+ 311.11520 175.7
[M]- 311.11630 175.7
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.