CID 6474990

(3s,4r)-3-hydroxy-1-(p-tolyl)-4-[(e)-styryl]azetidin-2-one

Structural Information

Molecular Formula
C18H17NO2
SMILES
CC1=CC=C(C=C1)N2[C@@H]([C@@H](C2=O)O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H17NO2/c1-13-7-10-15(11-8-13)19-16(17(20)18(19)21)12-9-14-5-3-2-4-6-14/h2-12,16-17,20H,1H3/b12-9+/t16-,17+/m1/s1
InChIKey
CRDMXTZYDDXNEJ-FPRCLYBRSA-N
Compound name
(3S,4R)-3-hydroxy-1-(4-methylphenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 162.7
[M+Na]+ 302.11514 169.9
[M-H]- 278.11864 169.7
[M+NH4]+ 297.15974 170.5
[M+K]+ 318.08908 167.4
[M+H-H2O]+ 262.12318 148.9
[M+HCOO]- 324.12412 181.9
[M+CH3COO]- 338.13977 201.7
[M+Na-2H]- 300.10059 165.0
[M]+ 279.12537 170.4
[M]- 279.12647 170.4
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.