CID 40575

52904-53-7

Structural Information

Molecular Formula
C19H27NO4
SMILES
CCOC(=O)N1CC2CCCC(C1)C2(C3=CC(=CC=C3)OC)OC
InChI
InChI=1S/C19H27NO4/c1-4-24-18(21)20-12-15-8-5-9-16(13-20)19(15,23-3)14-7-6-10-17(11-14)22-2/h6-7,10-11,15-16H,4-5,8-9,12-13H2,1-3H3
InChIKey
VXYKVXYMAISAET-UHFFFAOYSA-N
Compound name
ethyl 9-methoxy-9-(3-methoxyphenyl)-3-azabicyclo[3.3.1]nonane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.194 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20128 180.9
[M+Na]+ 356.18322 191.9
[M+NH4]+ 351.22782 189.7
[M+K]+ 372.15716 183.2
[M-H]- 332.18672 183.0
[M+Na-2H]- 354.16867 185.3
[M]+ 333.19345 183.0
[M]- 333.19455 183.0
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.