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 218.6
[M+Na]+ 517.23092 218.6
[M-H]- 493.23442 222.4
[M+NH4]+ 512.27552 226.0
[M+K]+ 533.20486 216.2
[M+H-H2O]+ 477.23896 210.2
[M+HCOO]- 539.23990 228.0
[M+CH3COO]- 553.25555 240.1
[M+Na-2H]- 515.21637 215.9
[M]+ 494.24115 218.7
[M]- 494.24225 218.7
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.