CID 139022537

2344679-28-1

Structural Information

Molecular Formula
C28H34N2O6
SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)C1CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C28H34N2O6/c1-28(2,3)36-26(33)29-24(16-25(31)32)18-12-14-30(15-13-18)27(34)35-17-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,18,23-24H,12-17H2,1-3H3,(H,29,33)(H,31,32)
InChIKey
QFRQQTTTZHFWDA-UHFFFAOYSA-N
Compound name
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.2417 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.24898 216.4
[M+Na]+ 517.23092 222.8
[M+NH4]+ 512.27552 220.0
[M+K]+ 533.20486 221.3
[M-H]- 493.23442 216.7
[M+Na-2H]- 515.21637 217.0
[M]+ 494.24115 216.8
[M]- 494.24225 216.8
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.