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]+ 435.22783 204.3
[M+Na]+ 457.20977 202.0
[M-H]- 433.21327 212.2
[M+NH4]+ 452.25437 203.6
[M+K]+ 473.18371 201.8
[M+H-H2O]+ 417.21781 186.3
[M+HCOO]- 479.21875 217.3
[M+CH3COO]- 493.23440 232.2
[M+Na-2H]- 455.19522 200.7
[M]+ 434.22000 207.8
[M]- 434.22110 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.