CID 209996

20811-86-3

Structural Information

Molecular Formula
C23H27NO2
SMILES
CN1C2CCC1CC(C2)C3=CC(=CC=C3)C(CC(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C23H27NO2/c1-24-20-10-11-21(24)14-19(13-20)17-8-5-9-18(12-17)22(15-23(25)26)16-6-3-2-4-7-16/h2-9,12,19-22H,10-11,13-15H2,1H3,(H,25,26)
InChIKey
LKUIWRRZERHFOB-UHFFFAOYSA-N
Compound name
3-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenyl]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.211476 186.5
[M+Na]+ 372.193418 189.6
[M-H]- 348.196924 191.7
[M+NH4]+ 367.238023 200.1
[M+K]+ 388.167358 183.8
[M+H-H2O]+ 332.201460 177.6
[M+HCOO]- 394.202401 199.3
[M+CH3COO]- 408.218051 194.5
[M+Na-2H]- 370.178866 184.4
[M]+ 349.20365142 182.4
[M]- 349.20474858 182.4
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.