CID 132343748

2137567-19-0

Structural Information

Molecular Formula
C23H22FNO4
SMILES
C1CC2(C1)CN(CC2(C(=O)O)F)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H22FNO4/c24-23(20(26)27)14-25(13-22(23)10-5-11-22)21(28)29-12-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19H,5,10-14H2,(H,26,27)
InChIKey
BGLSQWHSYYINTA-UHFFFAOYSA-N
Compound name
6-(9H-fluoren-9-ylmethoxycarbonyl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1533 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.16058 195.1
[M+Na]+ 418.14252 200.6
[M-H]- 394.14602 201.7
[M+NH4]+ 413.18712 207.1
[M+K]+ 434.11646 198.0
[M+H-H2O]+ 378.15056 182.9
[M+HCOO]- 440.15150 207.8
[M+CH3COO]- 454.16715 203.4
[M+Na-2H]- 416.12797 193.3
[M]+ 395.15275 202.3
[M]- 395.15385 202.3
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.