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]+ 426.24275 206.8
[M+Na]+ 448.22469 220.2
[M+NH4]+ 443.26929 215.5
[M+K]+ 464.19863 212.6
[M-H]- 424.22819 214.1
[M+Na-2H]- 446.21014 214.6
[M]+ 425.23492 210.9
[M]- 425.23602 210.9
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.