CID 496414

Nsc688882

Structural Information

Molecular Formula
C25H27NO8
SMILES
CC(=O)OCC(=O)OCC(C1C(C(=O)N1CC2=CC=CC=C2)OC(=O)C)OCC3=CC=CC=C3
InChI
InChI=1S/C25H27NO8/c1-17(27)31-16-22(29)33-15-21(32-14-20-11-7-4-8-12-20)23-24(34-18(2)28)25(30)26(23)13-19-9-5-3-6-10-19/h3-12,21,23-24H,13-16H2,1-2H3
InChIKey
FLZKJHCVSOKFGO-UHFFFAOYSA-N
Compound name
[2-(3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl)-2-phenylmethoxyethyl] 2-acetyloxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.17368 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.18096 209.4
[M+Na]+ 492.16290 209.8
[M-H]- 468.16640 215.7
[M+NH4]+ 487.20750 208.1
[M+K]+ 508.13684 212.6
[M+H-H2O]+ 452.17094 192.3
[M+HCOO]- 514.17188 224.5
[M+CH3COO]- 528.18753 235.9
[M+Na-2H]- 490.14835 204.8
[M]+ 469.17313 224.5
[M]- 469.17423 224.5
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.