CID 29817

3-(m-methoxyphenyl)-3-methyl-1-phenethylazetidine

Structural Information

Molecular Formula
C19H23NO
SMILES
CC1(CN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C19H23NO/c1-19(17-9-6-10-18(13-17)21-2)14-20(15-19)12-11-16-7-4-3-5-8-16/h3-10,13H,11-12,14-15H2,1-2H3
InChIKey
GQXZANDAUPMCPH-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-3-methyl-1-(2-phenylethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 165.8
[M+Na]+ 304.16720 171.9
[M-H]- 280.17070 173.6
[M+NH4]+ 299.21180 175.9
[M+K]+ 320.14114 170.5
[M+H-H2O]+ 264.17524 152.1
[M+HCOO]- 326.17618 185.8
[M+CH3COO]- 340.19183 204.4
[M+Na-2H]- 302.15265 170.4
[M]+ 281.17743 175.2
[M]- 281.17853 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.