CID 3040765

Brn 1491722

Structural Information

Molecular Formula
C19H27NO3
SMILES
CC(C)OC(=O)N1CC2CCCC(C1)C2(C3=CC=CC=C3)OC
InChI
InChI=1S/C19H27NO3/c1-14(2)23-18(21)20-12-16-10-7-11-17(13-20)19(16,22-3)15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13H2,1-3H3
InChIKey
XVWSIWMYCCSSCR-UHFFFAOYSA-N
Compound name
propan-2-yl 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

317.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20638 178.2
[M+Na]+ 340.18832 181.5
[M-H]- 316.19182 181.2
[M+NH4]+ 335.23292 194.3
[M+K]+ 356.16226 179.1
[M+H-H2O]+ 300.19636 169.7
[M+HCOO]- 362.19730 190.5
[M+CH3COO]- 376.21295 207.8
[M+Na-2H]- 338.17377 180.0
[M]+ 317.19855 176.1
[M]- 317.19965 176.1
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.