CID 218329

Brn 1497733

Structural Information

Molecular Formula
C21H29NO2
SMILES
CN1C2CCC1CC(C2)OC(=O)CC3CCCCC4=CC=CC=C34
InChI
InChI=1S/C21H29NO2/c1-22-17-10-11-18(22)14-19(13-17)24-21(23)12-16-8-3-2-6-15-7-4-5-9-20(15)16/h4-5,7,9,16-19H,2-3,6,8,10-14H2,1H3
InChIKey
IPQGPDINAMNKGL-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.21982 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.22710 179.6
[M+Na]+ 350.20904 187.9
[M+NH4]+ 345.25364 187.7
[M+K]+ 366.18298 183.4
[M-H]- 326.21254 182.1
[M+Na-2H]- 348.19449 181.3
[M]+ 327.21927 181.4
[M]- 327.22037 181.4
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.