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]+ 312.123026 171.8
[M+Na]+ 334.104968 176.9
[M-H]- 310.108474 180.0
[M+NH4]+ 329.149573 182.7
[M+K]+ 350.078908 174.6
[M+H-H2O]+ 294.113010 161.7
[M+HCOO]- 356.113951 189.8
[M+CH3COO]- 370.129601 202.4
[M+Na-2H]- 332.090416 175.3
[M]+ 311.11520142 170.6
[M]- 311.11629858 170.6
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.