CID 2756173

147900-45-6

Structural Information

Molecular Formula
C22H23NO4
SMILES
C1CC(CCC1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO4/c24-21(25)14-9-11-15(12-10-14)23-22(26)27-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20H,9-13H2,(H,23,26)(H,24,25)
InChIKey
RIZQTCLNVHZQOO-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

365.16272 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 184.7
[M+Na]+ 388.15194 188.1
[M-H]- 364.15544 190.6
[M+NH4]+ 383.19654 199.1
[M+K]+ 404.12588 183.5
[M+H-H2O]+ 348.15998 176.9
[M+HCOO]- 410.16092 200.7
[M+CH3COO]- 424.17657 215.8
[M+Na-2H]- 386.13739 185.0
[M]+ 365.16217 182.0
[M]- 365.16327 182.0
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