CID 12968361

154306-81-7

Structural Information

Molecular Formula
C17H17NO2
SMILES
C[C@@H](C1=CC=CC=C1)N2[C@H]([C@H](C2=O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H17NO2/c1-12(13-8-4-2-5-9-13)18-15(16(19)17(18)20)14-10-6-3-7-11-14/h2-12,15-16,19H,1H3/t12-,15-,16+/m0/s1
InChIKey
ZQYVUTPAPKYYNK-VBNZEHGJSA-N
Compound name
(3R,4S)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.12592 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.133196 159.7
[M+Na]+ 290.115138 165.7
[M-H]- 266.118644 166.5
[M+NH4]+ 285.159743 167.6
[M+K]+ 306.089078 164.4
[M+H-H2O]+ 250.123180 145.8
[M+HCOO]- 312.124121 178.0
[M+CH3COO]- 326.139771 199.8
[M+Na-2H]- 288.100586 162.0
[M]+ 267.12537142 166.8
[M]- 267.12646858 166.8
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