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 180.8
[M+Na]+ 356.18322 185.2
[M-H]- 332.18672 184.1
[M+NH4]+ 351.22782 196.5
[M+K]+ 372.15716 182.9
[M+H-H2O]+ 316.19126 172.1
[M+HCOO]- 378.19220 194.2
[M+CH3COO]- 392.20785 210.2
[M+Na-2H]- 354.16867 183.3
[M]+ 333.19345 181.3
[M]- 333.19455 181.3
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.