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]+ 282.185256 165.8
[M+Na]+ 304.167198 171.9
[M-H]- 280.170704 173.6
[M+NH4]+ 299.211803 175.9
[M+K]+ 320.141138 170.5
[M+H-H2O]+ 264.175240 152.1
[M+HCOO]- 326.176181 185.8
[M+CH3COO]- 340.191831 204.4
[M+Na-2H]- 302.152646 170.4
[M]+ 281.17743142 175.2
[M]- 281.17852858 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.