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]+ 311.13902 171.1
[M+Na]+ 333.12096 176.0
[M-H]- 309.12446 178.9
[M+NH4]+ 328.16556 177.3
[M+K]+ 349.09490 175.7
[M+H-H2O]+ 293.12900 155.7
[M+HCOO]- 355.12994 191.7
[M+CH3COO]- 369.14559 210.0
[M+Na-2H]- 331.10641 173.5
[M]+ 310.13119 180.0
[M]- 310.13229 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.