CID 202297

10082-84-5

Structural Information

Molecular Formula
C26H33NO3
SMILES
CC1(CN2CCC(C1OC(=O)C(CC3=CC=C(C=C3)OC)C4=CC=CC=C4)CC2)C
InChI
InChI=1S/C26H33NO3/c1-26(2)18-27-15-13-21(14-16-27)24(26)30-25(28)23(20-7-5-4-6-8-20)17-19-9-11-22(29-3)12-10-19/h4-12,21,23-24H,13-18H2,1-3H3
InChIKey
SENCDPCAUMVFLO-UHFFFAOYSA-N
Compound name
(3,3-dimethyl-1-azabicyclo[3.2.2]nonan-4-yl) 3-(4-methoxyphenyl)-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.24603 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.25331 205.1
[M+Na]+ 430.23525 211.3
[M-H]- 406.23875 209.6
[M+NH4]+ 425.27985 219.5
[M+K]+ 446.20919 207.2
[M+H-H2O]+ 390.24329 202.3
[M+HCOO]- 452.24423 212.5
[M+CH3COO]- 466.25988 211.2
[M+Na-2H]- 428.22070 209.1
[M]+ 407.24548 205.6
[M]- 407.24658 205.6
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.