CID 136575884

2219379-53-8

Structural Information

Molecular Formula
C27H32N2O6
SMILES
CC(C)(C)OC(=O)NCC1CC(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C27H32N2O6/c1-27(2,3)35-25(32)28-13-17-12-18(24(30)31)15-29(14-17)26(33)34-16-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,17-18,23H,12-16H2,1-3H3,(H,28,32)(H,30,31)
InChIKey
SAIKAHAZYIMZNS-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.22604 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.23332 213.6
[M+Na]+ 503.21526 221.0
[M+NH4]+ 498.25986 217.5
[M+K]+ 519.18920 219.0
[M-H]- 479.21876 214.3
[M+Na-2H]- 501.20071 214.5
[M]+ 480.22549 214.3
[M]- 480.22659 214.3
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.