CID 13120085

1-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-2-one

Structural Information

Molecular Formula
C19H21NO2
SMILES
CC1(C(N(C1=O)CC2=CC=C(C=C2)OC)C3=CC=CC=C3)C
InChI
InChI=1S/C19H21NO2/c1-19(2)17(15-7-5-4-6-8-15)20(18(19)21)13-14-9-11-16(22-3)12-10-14/h4-12,17H,13H2,1-3H3
InChIKey
CAHKYFPNYYUUBT-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 168.0
[M+Na]+ 318.14645 175.8
[M-H]- 294.14995 176.5
[M+NH4]+ 313.19105 177.9
[M+K]+ 334.12039 174.6
[M+H-H2O]+ 278.15449 154.5
[M+HCOO]- 340.15543 188.2
[M+CH3COO]- 354.17108 207.8
[M+Na-2H]- 316.13190 171.2
[M]+ 295.15668 178.9
[M]- 295.15778 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.