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

54
Patents

365.16272 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 186.8
[M+Na]+ 388.15194 188.4
[M-H]- 364.15544 192.6
[M+NH4]+ 383.19654 194.6
[M+K]+ 404.12588 188.0
[M+H-H2O]+ 348.15998 173.6
[M+HCOO]- 410.16092 202.8
[M+CH3COO]- 424.17657 218.8
[M+Na-2H]- 386.13739 186.2
[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

patents stripe