CID 17039473

Diexo-3-(9-h-fluoren-9-ylmethoxycarbonylamino)-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C22H21NO5
SMILES
C1CC2C(C(C1O2)C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C22H21NO5/c24-21(25)19-17-9-10-18(28-17)20(19)23-22(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-20H,9-11H2,(H,23,26)(H,24,25)
InChIKey
ZDGWFBWXFWDVGM-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.14197 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14925 185.6
[M+Na]+ 402.13119 190.8
[M-H]- 378.13469 193.3
[M+NH4]+ 397.17579 203.6
[M+K]+ 418.10513 187.9
[M+H-H2O]+ 362.13923 181.6
[M+HCOO]- 424.14017 201.9
[M+CH3COO]- 438.15582 195.6
[M+Na-2H]- 400.11664 184.5
[M]+ 379.14142 188.1
[M]- 379.14252 188.1
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.