CID 5278795

Chembl194164

Structural Information

Molecular Formula
C22H22N2O6
SMILES
COC(=O)CNC(=O)C(C1=CC=CC=C1)N2C(CC2=O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C22H22N2O6/c1-29-19(26)13-23-21(27)20(16-10-6-3-7-11-16)24-17(12-18(24)25)22(28)30-14-15-8-4-2-5-9-15/h2-11,17,20H,12-14H2,1H3,(H,23,27)
InChIKey
WRZRJSVCZWKIRZ-UHFFFAOYSA-N
Compound name
benzyl 1-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxo-1-phenylethyl]-4-oxoazetidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.1478 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.15508 197.6
[M+Na]+ 433.13702 198.1
[M-H]- 409.14052 204.2
[M+NH4]+ 428.18162 198.4
[M+K]+ 449.11096 200.0
[M+H-H2O]+ 393.14506 180.6
[M+HCOO]- 455.14600 214.4
[M+CH3COO]- 469.16165 227.2
[M+Na-2H]- 431.12247 195.2
[M]+ 410.14725 207.9
[M]- 410.14835 207.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.