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]+ 366.17000 188.3
[M+Na]+ 388.15194 191.4
[M-H]- 364.15544 194.4
[M+NH4]+ 383.19654 198.3
[M+K]+ 404.12588 190.3
[M+H-H2O]+ 348.15998 175.7
[M+HCOO]- 410.16092 205.2
[M+CH3COO]- 424.17657 217.4
[M+Na-2H]- 386.13739 189.8
[M]+ 365.16217 197.8
[M]- 365.16327 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.