CID 75481384

1803562-58-4

Structural Information

Molecular Formula
C23H22N2O5
SMILES
C1CN(CCC12CC(=NO2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H22N2O5/c26-21(27)20-13-23(30-24-20)9-11-25(12-10-23)22(28)29-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,26,27)
InChIKey
HJMIGJGBCMNOGF-UHFFFAOYSA-N
Compound name
8-(9H-fluoren-9-ylmethoxycarbonyl)-1-oxa-2,8-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 195.0
[M+Na]+ 429.14208 200.5
[M-H]- 405.14558 202.0
[M+NH4]+ 424.18668 207.9
[M+K]+ 445.11602 197.1
[M+H-H2O]+ 389.15012 186.3
[M+HCOO]- 451.15106 206.9
[M+CH3COO]- 465.16671 203.3
[M+Na-2H]- 427.12753 194.1
[M]+ 406.15231 194.3
[M]- 406.15341 194.3
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.