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

1
Patents

377.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 183.3
[M+Na]+ 400.15194 185.2
[M-H]- 376.15544 190.9
[M+NH4]+ 395.19654 186.5
[M+K]+ 416.12588 187.1
[M+H-H2O]+ 360.15998 166.9
[M+HCOO]- 422.16092 197.0
[M+CH3COO]- 436.17657 226.2
[M+Na-2H]- 398.13739 183.5
[M]+ 377.16217 198.8
[M]- 377.16327 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