CID 1228190

312965-06-3

Structural Information

Molecular Formula
C22H23NO4
SMILES
C1CC[C@@H]([C@@H](C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,7-10,18-20H,5-6,11-13H2,(H,23,26)(H,24,25)/t18-,20+/m1/s1
InChIKey
NZMNDTGOODAUNI-QUCCMNQESA-N
Compound name
(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
Patents

365.16272 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 186.7
[M+Na]+ 388.15194 196.7
[M+NH4]+ 383.19654 194.1
[M+K]+ 404.12588 191.9
[M-H]- 364.15544 190.3
[M+Na-2H]- 386.13739 190.3
[M]+ 365.16217 188.8
[M]- 365.16327 188.8
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