CID 473211

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

Structural Information

Molecular Formula
C20H22ClNO3
SMILES
CC1=CC(=C(C=C1N2C(C(C2=O)Cl)C3=CC=CC=C3OC)C(C)C)O
InChI
InChI=1S/C20H22ClNO3/c1-11(2)14-10-15(12(3)9-16(14)23)22-19(18(21)20(22)24)13-7-5-6-8-17(13)25-4/h5-11,18-19,23H,1-4H3
InChIKey
LFPDLRYSTHKDOB-UHFFFAOYSA-N
Compound name
3-chloro-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-(2-methoxyphenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1288 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13608 180.3
[M+Na]+ 382.11802 189.0
[M-H]- 358.12152 187.6
[M+NH4]+ 377.16262 186.4
[M+K]+ 398.09196 186.4
[M+H-H2O]+ 342.12606 167.2
[M+HCOO]- 404.12700 193.2
[M+CH3COO]- 418.14265 218.9
[M+Na-2H]- 380.10347 177.9
[M]+ 359.12825 193.5
[M]- 359.12935 193.5
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.