CID 29822

3-(m-methoxyphenyl)-1-propionyl-3-propylazetidine

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCC1(CN(C1)C(=O)CC)C2=CC(=CC=C2)OC
InChI
InChI=1S/C16H23NO2/c1-4-9-16(11-17(12-16)15(18)5-2)13-7-6-8-14(10-13)19-3/h6-8,10H,4-5,9,11-12H2,1-3H3
InChIKey
ZDVKSHKJWZEZDJ-UHFFFAOYSA-N
Compound name
1-[3-(3-methoxyphenyl)-3-propylazetidin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 162.6
[M+Na]+ 284.16210 170.1
[M+NH4]+ 279.20670 167.3
[M+K]+ 300.13604 163.6
[M-H]- 260.16560 162.3
[M+Na-2H]- 282.14755 167.3
[M]+ 261.17233 162.5
[M]- 261.17343 162.5
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.