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]+ 352.190716 186.2
[M+Na]+ 374.172658 189.7
[M-H]- 350.176164 192.2
[M+NH4]+ 369.217263 200.1
[M+K]+ 390.146598 185.4
[M+H-H2O]+ 334.180700 175.3
[M+HCOO]- 396.181641 199.7
[M+CH3COO]- 410.197291 194.4
[M+Na-2H]- 372.158106 189.6
[M]+ 351.18289142 182.8
[M]- 351.18398858 182.8
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.