CID 3033352

1-methyl-3-(m-(phenethyloxy)phenyl)-3-propylazetidine

Structural Information

Molecular Formula
C21H27NO
SMILES
CCCC1(CN(C1)C)C2=CC(=CC=C2)OCCC3=CC=CC=C3
InChI
InChI=1S/C21H27NO/c1-3-13-21(16-22(2)17-21)19-10-7-11-20(15-19)23-14-12-18-8-5-4-6-9-18/h4-11,15H,3,12-14,16-17H2,1-2H3
InChIKey
WDWLUDANOWGWFP-UHFFFAOYSA-N
Compound name
1-methyl-3-[3-(2-phenylethoxy)phenyl]-3-propylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 173.6
[M+Na]+ 332.19848 183.9
[M+NH4]+ 327.24308 179.7
[M+K]+ 348.17242 174.6
[M-H]- 308.20198 176.9
[M+Na-2H]- 330.18393 182.2
[M]+ 309.20871 175.2
[M]- 309.20981 175.2
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.