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 171.8
[M+Na]+ 334.10497 176.9
[M-H]- 310.10847 180.0
[M+NH4]+ 329.14957 182.7
[M+K]+ 350.07891 174.6
[M+H-H2O]+ 294.11301 161.7
[M+HCOO]- 356.11395 189.8
[M+CH3COO]- 370.12960 202.4
[M+Na-2H]- 332.09042 175.3
[M]+ 311.11520 170.6
[M]- 311.11630 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.