CID 165531406

En300-1286533

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1CC12CC2[C@H](CC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H23NO4/c25-21(26)11-20(19-12-23(19)9-10-23)24-22(27)28-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-20H,9-13H2,(H,24,27)(H,25,26)/t19?,20-/m0/s1
InChIKey
AWVGPMFDCHSXKC-ANYOKISRSA-N
Compound name
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-spiro[2.2]pentan-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 185.0
[M+Na]+ 400.15194 190.7
[M-H]- 376.15544 192.8
[M+NH4]+ 395.19654 190.6
[M+K]+ 416.12588 186.9
[M+H-H2O]+ 360.15998 180.9
[M+HCOO]- 422.16092 199.5
[M+CH3COO]- 436.17657 192.2
[M+Na-2H]- 398.13739 185.7
[M]+ 377.16217 190.6
[M]- 377.16327 190.6
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.