CID 24729637

313051-96-6

Structural Information

Molecular Formula
C27H32N2O6
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H32N2O6/c1-27(2,3)35-26(33)29-14-12-17(13-15-29)23(24(30)31)28-25(32)34-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22-23H,12-16H2,1-3H3,(H,28,32)(H,30,31)
InChIKey
ATJZZVCJRHLAGA-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

480.22604 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.23332 212.1
[M+Na]+ 503.21526 218.7
[M+NH4]+ 498.25986 215.9
[M+K]+ 519.18920 217.5
[M-H]- 479.21876 212.5
[M+Na-2H]- 501.20071 213.0
[M]+ 480.22549 212.6
[M]- 480.22659 212.6
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