CID 469507

1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl acetate

Structural Information

Molecular Formula
C18H17NO4
SMILES
CC(=O)OC1C(N(C1=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO4/c1-12(20)23-17-16(13-6-4-3-5-7-13)19(18(17)21)14-8-10-15(22-2)11-9-14/h3-11,16-17H,1-2H3
InChIKey
YWTCDTFWPNSBIU-UHFFFAOYSA-N
Compound name
[1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

311.11575 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 167.9
[M+Na]+ 334.10497 174.4
[M-H]- 310.10847 176.1
[M+NH4]+ 329.14957 174.6
[M+K]+ 350.07891 174.7
[M+H-H2O]+ 294.11301 153.3
[M+HCOO]- 356.11395 187.7
[M+CH3COO]- 370.12960 209.1
[M+Na-2H]- 332.09042 169.4
[M]+ 311.11520 179.4
[M]- 311.11630 179.4
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

patents stripe