CID 469515

1-(4-bromophenyl)-3-hydroxy-4-(1-naphthyl)azetidin-2-one

Structural Information

Molecular Formula
C19H14BrNO2
SMILES
C1=CC=C2C(=C1)C=CC=C2C3C(C(=O)N3C4=CC=C(C=C4)Br)O
InChI
InChI=1S/C19H14BrNO2/c20-13-8-10-14(11-9-13)21-17(18(22)19(21)23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17-18,22H
InChIKey
NXPFBWNMJPFPCB-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-hydroxy-4-naphthalen-1-ylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.02078 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.02806 168.9
[M+Na]+ 390.01000 179.5
[M-H]- 366.01350 179.0
[M+NH4]+ 385.05460 178.4
[M+K]+ 405.98394 170.1
[M+H-H2O]+ 350.01804 162.0
[M+HCOO]- 412.01898 185.1
[M+CH3COO]- 426.03463 181.4
[M+Na-2H]- 387.99545 174.1
[M]+ 367.02023 194.3
[M]- 367.02133 194.3
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.