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]+ 291.13393 168.5
[M+Na]+ 313.11587 174.0
[M-H]- 289.11937 173.8
[M+NH4]+ 308.16047 177.9
[M+K]+ 329.08981 175.6
[M+H-H2O]+ 273.12391 156.0
[M+HCOO]- 335.12485 188.0
[M+CH3COO]- 349.14050 206.4
[M+Na-2H]- 311.10132 169.8
[M]+ 290.12610 179.4
[M]- 290.12720 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.