CID 81164476

1540544-71-5

Structural Information

Molecular Formula
C22H23NO4
SMILES
C1CC(C1)(CC(=O)O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO4/c24-20(25)12-22(10-5-11-22)14-23-21(26)27-13-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19H,5,10-14H2,(H,23,26)(H,24,25)
InChIKey
JERZVJBCJPCNQU-UHFFFAOYSA-N
Compound name
2-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclobutyl]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 188.3
[M+Na]+ 388.151938 191.4
[M-H]- 364.155444 194.4
[M+NH4]+ 383.196543 198.3
[M+K]+ 404.125878 190.3
[M+H-H2O]+ 348.159980 175.7
[M+HCOO]- 410.160921 205.2
[M+CH3COO]- 424.176571 217.4
[M+Na-2H]- 386.137386 189.8
[M]+ 365.16217142 197.8
[M]- 365.16326858 197.8
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

No patent data available for this compound.