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 214.9
[M+Na]+ 503.21526 216.7
[M-H]- 479.21876 221.1
[M+NH4]+ 498.25986 228.2
[M+K]+ 519.18920 214.4
[M+H-H2O]+ 463.22330 208.9
[M+HCOO]- 525.22424 230.3
[M+CH3COO]- 539.23989 237.7
[M+Na-2H]- 501.20071 214.6
[M]+ 480.22549 216.9
[M]- 480.22659 216.9
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.