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 184.1
[M+Na]+ 360.22979 188.3
[M-H]- 336.23329 191.0
[M+NH4]+ 355.27439 191.8
[M+K]+ 376.20373 186.0
[M+H-H2O]+ 320.23783 169.4
[M+HCOO]- 382.23877 202.5
[M+CH3COO]- 396.25442 215.8
[M+Na-2H]- 358.21524 186.4
[M]+ 337.24002 194.7
[M]- 337.24112 194.7
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.