CID 165886923

En300-27732253

Structural Information

Molecular Formula
C25H27NO5
SMILES
C1CN(CCC12CC(CO2)CC(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H27NO5/c27-23(28)13-17-14-25(31-15-17)9-11-26(12-10-25)24(29)30-16-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,17,22H,9-16H2,(H,27,28)
InChIKey
CWCGNSRJJVKKHQ-UHFFFAOYSA-N
Compound name
2-[8-(9H-fluoren-9-ylmethoxycarbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetic 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 201.4
[M+Na]+ 444.17815 210.9
[M+NH4]+ 439.22275 209.6
[M+K]+ 460.15209 206.8
[M-H]- 420.18165 205.6
[M+Na-2H]- 442.16360 204.2
[M]+ 421.18838 203.8
[M]- 421.18948 203.8
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

No patent data available for this compound.