CID 482382

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

Structural Information

Molecular Formula
C18H18N2O3
SMILES
COC1=CC=C(C=C1)NC(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C18H18N2O3/c1-23-16-9-7-14(8-10-16)19-18(22)20-15(12-17(20)21)11-13-5-3-2-4-6-13/h2-10,15H,11-12H2,1H3,(H,19,22)/t15-/m1/s1
InChIKey
STLVHHVUCNUUJI-OAHLLOKOSA-N
Compound name
(2R)-2-benzyl-N-(4-methoxyphenyl)-4-oxoazetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.13174 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.139016 171.1
[M+Na]+ 333.120958 176.0
[M-H]- 309.124464 178.9
[M+NH4]+ 328.165563 177.3
[M+K]+ 349.094898 175.7
[M+H-H2O]+ 293.129000 155.7
[M+HCOO]- 355.129941 191.7
[M+CH3COO]- 369.145591 210.0
[M+Na-2H]- 331.106406 173.5
[M]+ 310.13119142 180.0
[M]- 310.13228858 180.0
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.