CID 469508

[2-(4-nitrophenyl)-4-oxo-1-phenyl-azetidin-3-yl] acetate

Structural Information

Molecular Formula
C17H14N2O5
SMILES
CC(=O)OC1C(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H14N2O5/c1-11(20)24-16-15(12-7-9-14(10-8-12)19(22)23)18(17(16)21)13-5-3-2-4-6-13/h2-10,15-16H,1H3
InChIKey
NOUAPMGXLDDZET-UHFFFAOYSA-N
Compound name
[2-(4-nitrophenyl)-4-oxo-1-phenylazetidin-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.09027 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09755 169.8
[M+Na]+ 349.07949 174.3
[M-H]- 325.08299 177.8
[M+NH4]+ 344.12409 174.6
[M+K]+ 365.05343 171.0
[M+H-H2O]+ 309.08753 158.6
[M+HCOO]- 371.08847 190.4
[M+CH3COO]- 385.10412 205.4
[M+Na-2H]- 347.06494 173.2
[M]+ 326.08972 177.8
[M]- 326.09082 177.8
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.