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]+ 350.21148 186.5
[M+Na]+ 372.19342 189.6
[M-H]- 348.19692 191.7
[M+NH4]+ 367.23802 200.1
[M+K]+ 388.16736 183.8
[M+H-H2O]+ 332.20146 177.6
[M+HCOO]- 394.20240 199.3
[M+CH3COO]- 408.21805 194.5
[M+Na-2H]- 370.17887 184.4
[M]+ 349.20365 182.4
[M]- 349.20475 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.