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]+ 357.144476 182.6
[M+Na]+ 379.126418 186.4
[M-H]- 355.129924 191.0
[M+NH4]+ 374.171023 196.2
[M+K]+ 395.100358 180.4
[M+H-H2O]+ 339.134460 179.6
[M+HCOO]- 401.135401 200.2
[M+CH3COO]- 415.151051 207.7
[M+Na-2H]- 377.111866 184.0
[M]+ 356.13665142 181.3
[M]- 356.13774858 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.