CID 3047292

2-furoic acid, 5-phenyl-, 1-alpha-h,5-alpha-h-tropan-3-alpha-yl ester

Structural Information

Molecular Formula
C19H21NO3
SMILES
CN1C2CCC1CC(C2)OC(=O)C3=CC=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C19H21NO3/c1-20-14-7-8-15(20)12-16(11-14)22-19(21)18-10-9-17(23-18)13-5-3-2-4-6-13/h2-6,9-10,14-16H,7-8,11-12H2,1H3
InChIKey
ZWBZWJPGCVOBFD-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15213 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 172.9
[M+Na]+ 334.14135 178.7
[M-H]- 310.14485 181.2
[M+NH4]+ 329.18595 189.7
[M+K]+ 350.11529 176.0
[M+H-H2O]+ 294.14939 165.7
[M+HCOO]- 356.15033 190.0
[M+CH3COO]- 370.16598 183.9
[M+Na-2H]- 332.12680 172.3
[M]+ 311.15158 172.9
[M]- 311.15268 172.9
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.