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]+ 299.119036 167.5
[M+Na]+ 321.100978 173.2
[M-H]- 297.104484 174.1
[M+NH4]+ 316.145583 174.3
[M+K]+ 337.074918 171.9
[M+H-H2O]+ 281.109020 151.6
[M+HCOO]- 343.109961 187.2
[M+CH3COO]- 357.125611 207.6
[M+Na-2H]- 319.086426 169.7
[M]+ 298.11121142 173.7
[M]- 298.11230858 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.