CID 3040767

Brn 1499874

Structural Information

Molecular Formula
C22H25NO3
SMILES
COC1(C2CCCC1CN(C2)C(=O)OC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H25NO3/c1-25-22(17-9-4-2-5-10-17)18-11-8-12-19(22)16-23(15-18)21(24)26-20-13-6-3-7-14-20/h2-7,9-10,13-14,18-19H,8,11-12,15-16H2,1H3
InChIKey
CDRXQDDUEQWUNB-UHFFFAOYSA-N
Compound name
phenyl 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

351.18344 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 186.6
[M+Na]+ 374.17266 200.1
[M+NH4]+ 369.21726 196.7
[M+K]+ 390.14660 189.5
[M-H]- 350.17616 192.0
[M+Na-2H]- 372.15811 194.9
[M]+ 351.18289 190.2
[M]- 351.18399 190.2
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.