CID 473204

3-chloro-4-(4-chlorophenyl)-1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)azetidin-2-one

Structural Information

Molecular Formula
C19H19Cl2NO2
SMILES
CC1=CC(=C(C=C1N2C(C(C2=O)Cl)C3=CC=C(C=C3)Cl)C(C)C)O
InChI
InChI=1S/C19H19Cl2NO2/c1-10(2)14-9-15(11(3)8-16(14)23)22-18(17(21)19(22)24)12-4-6-13(20)7-5-12/h4-10,17-18,23H,1-3H3
InChIKey
TWTHVUQXDFGUHA-UHFFFAOYSA-N
Compound name
3-chloro-4-(4-chlorophenyl)-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.07928 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.08656 175.4
[M+Na]+ 386.06850 185.4
[M-H]- 362.07200 182.0
[M+NH4]+ 381.11310 182.3
[M+K]+ 402.04244 181.1
[M+H-H2O]+ 346.07654 163.6
[M+HCOO]- 408.07748 183.9
[M+CH3COO]- 422.09313 217.9
[M+Na-2H]- 384.05395 173.3
[M]+ 363.07873 188.2
[M]- 363.07983 188.2
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.