CID 22145239

365550-63-6

Structural Information

Molecular Formula
C28H27NO4
SMILES
C1CC(CCC1C2=CC=CC=C2)(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C28H27NO4/c30-26(31)28(16-14-20(15-17-28)19-8-2-1-3-9-19)29-27(32)33-18-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,20,25H,14-18H2,(H,29,32)(H,30,31)
InChIKey
VRDHFYXVHXGOJV-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

441.194 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.20128 206.6
[M+Na]+ 464.18322 209.5
[M-H]- 440.18672 215.2
[M+NH4]+ 459.22782 219.0
[M+K]+ 480.15716 203.7
[M+H-H2O]+ 424.19126 196.7
[M+HCOO]- 486.19220 221.5
[M+CH3COO]- 500.20785 213.7
[M+Na-2H]- 462.16867 206.7
[M]+ 441.19345 203.3
[M]- 441.19455 203.3
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

patents stripe