CID 3047295

Brn 1492056

Structural Information

Molecular Formula
C20H23NO3
SMILES
CC1=CC=C(C=C1)C2=CC=C(O2)C(=O)OC3CC4CCC(C3)N4C
InChI
InChI=1S/C20H23NO3/c1-13-3-5-14(6-4-13)18-9-10-19(24-18)20(22)23-17-11-15-7-8-16(12-17)21(15)2/h3-6,9-10,15-17H,7-8,11-12H2,1-2H3
InChIKey
AXOLQKFCKIZZQQ-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-(4-methylphenyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 176.9
[M+Na]+ 348.15702 188.7
[M+NH4]+ 343.20162 185.3
[M+K]+ 364.13096 185.8
[M-H]- 324.16052 182.2
[M+Na-2H]- 346.14247 180.6
[M]+ 325.16725 180.0
[M]- 325.16835 180.0
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.