CID 132371440

2149471-79-2

Structural Information

Molecular Formula
C25H28N2O6
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H28N2O6/c1-24(2,3)33-23(31)27-14-25(15-27,12-21(28)29)26-22(30)32-13-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20H,12-15H2,1-3H3,(H,26,30)(H,28,29)
InChIKey
YXEXKTDCVMPVOS-UHFFFAOYSA-N
Compound name
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.19473 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.20201 210.9
[M+Na]+ 475.18395 214.0
[M+NH4]+ 470.22855 212.1
[M+K]+ 491.15789 212.0
[M-H]- 451.18745 208.0
[M+Na-2H]- 473.16940 210.6
[M]+ 452.19418 209.0
[M]- 452.19528 209.0
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.