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 205.1
[M-H]- 420.18165 208.9
[M+NH4]+ 439.22275 215.0
[M+K]+ 460.15209 201.4
[M+H-H2O]+ 404.18619 193.4
[M+HCOO]- 466.18713 212.4
[M+CH3COO]- 480.20278 209.0
[M+Na-2H]- 442.16360 198.7
[M]+ 421.18838 199.3
[M]- 421.18948 199.3
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.