CID 2756192

478183-63-0

Structural Information

Molecular Formula
C22H23NO4
SMILES
C1CC(C1)C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO4/c24-21(25)20(12-14-6-5-7-14)23-22(26)27-13-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)19/h1-4,8-11,14,19-20H,5-7,12-13H2,(H,23,26)(H,24,25)/t20-/m1/s1
InChIKey
FOJRBUNCWCPLNH-HXUWFJFHSA-N
Compound name
(2R)-3-cyclobutyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

365.16272 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.169996 186.8
[M+Na]+ 388.151938 188.4
[M-H]- 364.155444 192.6
[M+NH4]+ 383.196543 194.6
[M+K]+ 404.125878 188.0
[M+H-H2O]+ 348.159980 173.6
[M+HCOO]- 410.160921 202.8
[M+CH3COO]- 424.176571 218.8
[M+Na-2H]- 386.137386 186.2
[M]+ 365.16217142 195.3
[M]- 365.16326858 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

patents stripe