CID 3040766

Brn 1492410

Structural Information

Molecular Formula
C20H29NO3
SMILES
CCCCOC(=O)N1CC2CCCC(C1)C2(C3=CC=CC=C3)OC
InChI
InChI=1S/C20H29NO3/c1-3-4-13-24-19(22)21-14-17-11-8-12-18(15-21)20(17,23-2)16-9-6-5-7-10-16/h5-7,9-10,17-18H,3-4,8,11-15H2,1-2H3
InChIKey
KCGLFYZTXXPBLF-UHFFFAOYSA-N
Compound name
butyl 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.22203 182.8
[M+Na]+ 354.20397 186.0
[M-H]- 330.20747 185.6
[M+NH4]+ 349.24857 198.4
[M+K]+ 370.17791 182.7
[M+H-H2O]+ 314.21201 173.8
[M+HCOO]- 376.21295 195.8
[M+CH3COO]- 390.22860 209.8
[M+Na-2H]- 352.18942 185.2
[M]+ 331.21420 181.7
[M]- 331.21530 181.7
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.