CID 482383

(2r)-2-benzyl-n-(4-fluorophenyl)-4-oxo-azetidine-1-carboxamide

Structural Information

Molecular Formula
C17H15FN2O2
SMILES
C1[C@H](N(C1=O)C(=O)NC2=CC=C(C=C2)F)CC3=CC=CC=C3
InChI
InChI=1S/C17H15FN2O2/c18-13-6-8-14(9-7-13)19-17(22)20-15(11-16(20)21)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,19,22)/t15-/m1/s1
InChIKey
YCJAUYCAQIPCQG-OAHLLOKOSA-N
Compound name
(2R)-2-benzyl-N-(4-fluorophenyl)-4-oxoazetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.11176 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11904 167.5
[M+Na]+ 321.10098 173.2
[M-H]- 297.10448 174.1
[M+NH4]+ 316.14558 174.3
[M+K]+ 337.07492 171.9
[M+H-H2O]+ 281.10902 151.6
[M+HCOO]- 343.10996 187.2
[M+CH3COO]- 357.12561 207.6
[M+Na-2H]- 319.08643 169.7
[M]+ 298.11121 173.7
[M]- 298.11231 173.7
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.