CID 89834253

1463524-95-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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 209.8
[M+Na]+ 475.18395 212.9
[M+NH4]+ 470.22855 209.8
[M+K]+ 491.15789 213.2
[M-H]- 451.18745 207.2
[M+Na-2H]- 473.16940 208.2
[M]+ 452.19418 207.9
[M]- 452.19528 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

patents stripe