CID 39472

47420-35-9

Structural Information

Molecular Formula
C23H31NO
SMILES
CCCCCC1(CN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C23H31NO/c1-3-4-8-15-23(21-12-9-13-22(17-21)25-2)18-24(19-23)16-14-20-10-6-5-7-11-20/h5-7,9-13,17H,3-4,8,14-16,18-19H2,1-2H3
InChIKey
MZEXWRRAWYPWJK-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-3-pentyl-1-(2-phenylethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24057 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24785 182.6
[M+Na]+ 360.22979 192.5
[M+NH4]+ 355.27439 188.4
[M+K]+ 376.20373 182.8
[M-H]- 336.23329 185.8
[M+Na-2H]- 358.21524 190.7
[M]+ 337.24002 184.2
[M]- 337.24112 184.2
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.