CID 3047297

2-furoic acid, 5-(p-nitrophenyl)-, 1-alpha-h,5-alpha-h-tropan-3-alpha-yl ester

Structural Information

Molecular Formula
C19H20N2O5
SMILES
CN1C2CCC1CC(C2)OC(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H20N2O5/c1-20-14-6-7-15(20)11-16(10-14)25-19(22)18-9-8-17(26-18)12-2-4-13(5-3-12)21(23)24/h2-5,8-9,14-16H,6-7,10-11H2,1H3
InChIKey
RMHVKTKKMGOOQL-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-(4-nitrophenyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1372 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14448 179.9
[M+Na]+ 379.12642 191.0
[M+NH4]+ 374.17102 187.1
[M+K]+ 395.10036 192.0
[M-H]- 355.12992 185.5
[M+Na-2H]- 377.11187 182.7
[M]+ 356.13665 182.7
[M]- 356.13775 182.7
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.