CID 132427834

2649078-85-1

Structural Information

Molecular Formula
C23H22N2O5
SMILES
C1CC2(CC(=NO2)C(=O)O)CN(C1)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H22N2O5/c26-21(27)20-12-23(30-24-20)10-5-11-25(14-23)22(28)29-13-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19H,5,10-14H2,(H,26,27)
InChIKey
YKWVKEARKRRPIJ-UHFFFAOYSA-N
Compound name
9-(9H-fluoren-9-ylmethoxycarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.15286 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16014 195.4
[M+Na]+ 429.14208 206.2
[M+NH4]+ 424.18668 203.2
[M+K]+ 445.11602 202.7
[M-H]- 405.14558 199.3
[M+Na-2H]- 427.12753 199.3
[M]+ 406.15231 197.9
[M]- 406.15341 197.9
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.