CID 155821954

2490401-64-2

Structural Information

Molecular Formula
C25H28N2O6
SMILES
CC(C)(C)OC(=O)NC(C1CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C25H28N2O6/c1-25(2,3)33-23(30)26-21(22(28)29)15-12-27(13-15)24(31)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)
InChIKey
YFDMEQDFDFGTBU-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.19473 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.20201 210.7
[M+Na]+ 475.18395 213.3
[M+NH4]+ 470.22855 210.4
[M+K]+ 491.15789 213.8
[M-H]- 451.18745 207.6
[M+Na-2H]- 473.16940 208.5
[M]+ 452.19418 208.5
[M]- 452.19528 208.5
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.