CID 5278793

Benzyl 1-[2-(cyclohexylmethylamino)-2-oxo-1-phenyl-ethyl]-4-oxo-azetidine-2-carboxylate

Structural Information

Molecular Formula
C26H30N2O4
SMILES
C1CCC(CC1)CNC(=O)C(C2=CC=CC=C2)N3C(CC3=O)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C26H30N2O4/c29-23-16-22(26(31)32-18-20-12-6-2-7-13-20)28(23)24(21-14-8-3-9-15-21)25(30)27-17-19-10-4-1-5-11-19/h2-3,6-9,12-15,19,22,24H,1,4-5,10-11,16-18H2,(H,27,30)
InChIKey
HELMGFSLIAOCLN-UHFFFAOYSA-N
Compound name
benzyl 1-[2-(cyclohexylmethylamino)-2-oxo-1-phenylethyl]-4-oxoazetidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.22055 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.227826 204.3
[M+Na]+ 457.209768 202.0
[M-H]- 433.213274 212.2
[M+NH4]+ 452.254373 203.6
[M+K]+ 473.183708 201.8
[M+H-H2O]+ 417.217810 186.3
[M+HCOO]- 479.218751 217.3
[M+CH3COO]- 493.234401 232.2
[M+Na-2H]- 455.195216 200.7
[M]+ 434.22000142 207.8
[M]- 434.22109858 207.8
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.