CID 136547454

2008331-24-4

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1CN(CCC12CC2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H23NO4/c25-21(26)20-13-23(20)9-11-24(12-10-23)22(27)28-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19-20H,9-14H2,(H,25,26)
InChIKey
SXNBNCHXOHOFGN-UHFFFAOYSA-N
Compound name
6-(9H-fluoren-9-ylmethoxycarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.169996 191.0
[M+Na]+ 400.151938 198.4
[M-H]- 376.155444 198.3
[M+NH4]+ 395.196543 201.6
[M+K]+ 416.125878 192.8
[M+H-H2O]+ 360.159980 183.5
[M+HCOO]- 422.160921 204.1
[M+CH3COO]- 436.176571 199.4
[M+Na-2H]- 398.137386 191.5
[M]+ 377.16217142 192.0
[M]- 377.16326858 192.0
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.