CID 469510

Methyl 4-(3-acetoxy-2-oxo-4-phenyl-azetidin-1-yl)benzoate

Structural Information

Molecular Formula
C19H17NO5
SMILES
CC(=O)OC1C(N(C1=O)C2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3
InChI
InChI=1S/C19H17NO5/c1-12(21)25-17-16(13-6-4-3-5-7-13)20(18(17)22)15-10-8-14(9-11-15)19(23)24-2/h3-11,16-17H,1-2H3
InChIKey
HJDZRFLBUCGCKF-UHFFFAOYSA-N
Compound name
methyl 4-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1107 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 175.1
[M+Na]+ 362.09992 180.8
[M-H]- 338.10342 183.2
[M+NH4]+ 357.14452 180.4
[M+K]+ 378.07386 181.7
[M+H-H2O]+ 322.10796 160.2
[M+HCOO]- 384.10890 193.9
[M+CH3COO]- 398.12455 213.6
[M+Na-2H]- 360.08537 175.0
[M]+ 339.11015 186.9
[M]- 339.11125 186.9
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.