CID 132350892

2592227-94-4

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1C(CC12CC(C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C23H23NO4/c25-21(26)14-9-23(10-14)11-15(12-23)24-22(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20H,9-13H2,(H,24,27)(H,25,26)
InChIKey
AWFKHACPRFTYJB-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

377.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.169996 183.3
[M+Na]+ 400.151938 185.2
[M-H]- 376.155444 190.9
[M+NH4]+ 395.196543 186.5
[M+K]+ 416.125878 187.1
[M+H-H2O]+ 360.159980 166.9
[M+HCOO]- 422.160921 197.0
[M+CH3COO]- 436.176571 226.2
[M+Na-2H]- 398.137386 183.5
[M]+ 377.16217142 198.8
[M]- 377.16326858 198.8
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