CID 137952351

2219370-82-6

Structural Information

Molecular Formula
C22H23NO4
SMILES
C1C(CC1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CCC(=O)O
InChI
InChI=1S/C22H23NO4/c24-21(25)10-9-14-11-15(12-14)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
MRUABQVYEORGQE-UHFFFAOYSA-N
Compound name
3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]propanoic 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 185.8
[M+Na]+ 388.15194 188.6
[M-H]- 364.15544 191.8
[M+NH4]+ 383.19654 194.0
[M+K]+ 404.12588 187.6
[M+H-H2O]+ 348.15998 172.7
[M+HCOO]- 410.16092 202.7
[M+CH3COO]- 424.17657 219.1
[M+Na-2H]- 386.13739 185.7
[M]+ 365.16217 195.3
[M]- 365.16327 195.3
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.