CID 5278799

Chembl363637

Structural Information

Molecular Formula
C26H24N2O4
SMILES
C1C(N(C1=O)C(C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C26H24N2O4/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/h1-15,22,24H,16-18H2,(H,27,30)
InChIKey
HVVIMLFNXVLHDO-UHFFFAOYSA-N
Compound name
benzyl 1-[2-(benzylamino)-2-oxo-1-phenylethyl]-4-oxoazetidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

428.1736 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.18088 203.6
[M+Na]+ 451.16282 204.3
[M-H]- 427.16632 212.6
[M+NH4]+ 446.20742 203.3
[M+K]+ 467.13676 203.4
[M+H-H2O]+ 411.17086 185.3
[M+HCOO]- 473.17180 220.6
[M+CH3COO]- 487.18745 231.1
[M+Na-2H]- 449.14827 202.6
[M]+ 428.17305 211.0
[M]- 428.17415 211.0
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.