CID 165531406

(3s)-3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-3-{spiro[2.2]pentan-1-yl}propanoic acid

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]+ 378.169996 185.0
[M+Na]+ 400.151938 190.7
[M-H]- 376.155444 192.8
[M+NH4]+ 395.196543 190.6
[M+K]+ 416.125878 186.9
[M+H-H2O]+ 360.159980 180.9
[M+HCOO]- 422.160921 199.5
[M+CH3COO]- 436.176571 192.2
[M+Na-2H]- 398.137386 185.7
[M]+ 377.16217142 190.6
[M]- 377.16326858 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.