CID 155820819

914358-29-5

Structural Information

Molecular Formula
C28H34N2O6
SMILES
CC(C)(C)OC(=O)NC1(CCC(CC1)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C28H34N2O6/c1-27(2,3)36-26(34)30-28(24(31)32)14-12-18(13-15-28)16-29-25(33)35-17-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,18,23H,12-17H2,1-3H3,(H,29,33)(H,30,34)(H,31,32)
InChIKey
MSDKGVCXLVCTOM-UHFFFAOYSA-N
Compound name
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.2417 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.24898 216.8
[M+Na]+ 517.23092 222.5
[M+NH4]+ 512.27552 222.2
[M+K]+ 533.20486 218.5
[M-H]- 493.23442 218.2
[M+Na-2H]- 515.21637 219.4
[M]+ 494.24115 217.6
[M]- 494.24225 217.6
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

No patent data available for this compound.