CID 137949314

2137631-73-1

Structural Information

Molecular Formula
C22H23NO4
SMILES
C1C[C@@H](C[C@@H]1CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO4/c24-21(25)12-14-9-10-15(11-14)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)/t14-,15+/m1/s1
InChIKey
HTDIEBAPWFRHFZ-CABCVRRESA-N
Compound name
2-[(1R,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.169996 186.6
[M+Na]+ 388.151938 190.8
[M-H]- 364.155444 193.3
[M+NH4]+ 383.196543 203.1
[M+K]+ 404.125878 186.3
[M+H-H2O]+ 348.159980 179.9
[M+HCOO]- 410.160921 205.0
[M+CH3COO]- 424.176571 215.2
[M+Na-2H]- 386.137386 185.2
[M]+ 365.16217142 186.3
[M]- 365.16326858 186.3
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.