CID 495371

Nsc651491

Structural Information

Molecular Formula
C22H24N2O6
SMILES
CC(C1C(C(=O)N1C(C2=CC=C(C=C2)OC)C(=O)OC)NC(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C22H24N2O6/c1-13(25)18-17(23-20(26)15-7-5-4-6-8-15)21(27)24(18)19(22(28)30-3)14-9-11-16(29-2)12-10-14/h4-13,17-19,25H,1-3H3,(H,23,26)
InChIKey
DIXGZIXIDMCOKM-UHFFFAOYSA-N
Compound name
methyl 2-[3-benzamido-2-(1-hydroxyethyl)-4-oxoazetidin-1-yl]-2-(4-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.16342 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.17070 200.4
[M+Na]+ 435.15264 201.7
[M-H]- 411.15614 206.3
[M+NH4]+ 430.19724 200.9
[M+K]+ 451.12658 203.7
[M+H-H2O]+ 395.16068 184.0
[M+HCOO]- 457.16162 215.4
[M+CH3COO]- 471.17727 229.1
[M+Na-2H]- 433.13809 195.9
[M]+ 412.16287 210.5
[M]- 412.16397 210.5
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.