CID 5278767

Chembl362951

Structural Information

Molecular Formula
C23H24N2O6
SMILES
COC(=O)CNC(=O)C(CC1=CC=CC=C1)N2C(CC2=O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C23H24N2O6/c1-30-21(27)14-24-22(28)18(12-16-8-4-2-5-9-16)25-19(13-20(25)26)23(29)31-15-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,24,28)
InChIKey
UWQCCOWJTLJDBJ-UHFFFAOYSA-N
Compound name
benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.16342 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.17070 202.2
[M+Na]+ 447.15264 202.2
[M-H]- 423.15614 208.5
[M+NH4]+ 442.19724 202.3
[M+K]+ 463.12658 203.9
[M+H-H2O]+ 407.16068 185.0
[M+HCOO]- 469.16162 218.6
[M+CH3COO]- 483.17727 230.0
[M+Na-2H]- 445.13809 199.2
[M]+ 424.16287 212.8
[M]- 424.16397 212.8
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.