CID 137952356

2219407-88-0

Structural Information

Molecular Formula
C25H27NO5
SMILES
C1CN(CC(C12CCOCC2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H27NO5/c27-23(28)22-15-26(12-9-25(22)10-13-30-14-11-25)24(29)31-16-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,21-22H,9-16H2,(H,27,28)
InChIKey
VMKDUADCIACXGW-UHFFFAOYSA-N
Compound name
9-(9H-fluoren-9-ylmethoxycarbonyl)-3-oxa-9-azaspiro[5.5]undecane-11-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.18893 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.19621 200.6
[M+Na]+ 444.17815 203.4
[M-H]- 420.18165 207.1
[M+NH4]+ 439.22275 212.0
[M+K]+ 460.15209 199.7
[M+H-H2O]+ 404.18619 190.7
[M+HCOO]- 466.18713 209.1
[M+CH3COO]- 480.20278 207.3
[M+Na-2H]- 442.16360 199.7
[M]+ 421.18838 196.0
[M]- 421.18948 196.0
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.