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 182.6
[M+Na]+ 379.12642 186.4
[M-H]- 355.12992 191.0
[M+NH4]+ 374.17102 196.2
[M+K]+ 395.10036 180.4
[M+H-H2O]+ 339.13446 179.6
[M+HCOO]- 401.13540 200.2
[M+CH3COO]- 415.15105 207.7
[M+Na-2H]- 377.11187 184.0
[M]+ 356.13665 181.3
[M]- 356.13775 181.3
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.