CID 478967

Chembl123457

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC(=O)O[C@@H]1C(C(=O)N1C(=O)NCC2=CC=CC=C2)(C)C
InChI
InChI=1S/C15H18N2O4/c1-10(18)21-13-15(2,3)12(19)17(13)14(20)16-9-11-7-5-4-6-8-11/h4-8,13H,9H2,1-3H3,(H,16,20)/t13-/m1/s1
InChIKey
CSCPXXRLQDJLJS-CYBMUJFWSA-N
Compound name
[(2R)-1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.12665 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.133926 168.5
[M+Na]+ 313.115868 174.0
[M-H]- 289.119374 173.8
[M+NH4]+ 308.160473 177.9
[M+K]+ 329.089808 175.6
[M+H-H2O]+ 273.123910 156.0
[M+HCOO]- 335.124851 188.0
[M+CH3COO]- 349.140501 206.4
[M+Na-2H]- 311.101316 169.8
[M]+ 290.12610142 179.4
[M]- 290.12719858 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.