CID 209995

20811-73-8

Structural Information

Molecular Formula
C29H31NO2
SMILES
CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H31NO2/c1-30-24-17-18-25(30)20-26(19-24)32-29(31)28(23-15-9-4-10-16-23)27(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,24-28H,17-20H2,1H3
InChIKey
QOTYPDRQKBVTFO-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3,3-triphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.23547 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.242746 206.3
[M+Na]+ 448.224688 206.7
[M-H]- 424.228194 214.7
[M+NH4]+ 443.269293 216.0
[M+K]+ 464.198628 200.7
[M+H-H2O]+ 408.232730 194.8
[M+HCOO]- 470.233671 218.4
[M+CH3COO]- 484.249321 212.4
[M+Na-2H]- 446.210136 202.9
[M]+ 425.23492142 201.8
[M]- 425.23601858 201.8
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.