CID 86812203

1803609-23-5

Structural Information

Molecular Formula
C27H32N2O6
SMILES
CC(C)(C)OC(=O)NCC1CCC(C1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H32N2O6/c1-26(2,3)35-24(32)28-15-17-12-13-27(14-17,23(30)31)29-25(33)34-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22H,12-16H2,1-3H3,(H,28,32)(H,29,33)(H,30,31)
InChIKey
MYCQIHLHHFMJLM-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 212.9
[M+Na]+ 503.21526 217.7
[M+NH4]+ 498.25986 218.3
[M+K]+ 519.18920 216.2
[M-H]- 479.21876 213.7
[M+Na-2H]- 501.20071 214.9
[M]+ 480.22549 213.3
[M]- 480.22659 213.3
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.