CID 473201

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

Structural Information

Molecular Formula
C19H20ClNO2
SMILES
CC1=CC(=C(C=C1N2C(C(C2=O)Cl)C3=CC=CC=C3)C(C)C)O
InChI
InChI=1S/C19H20ClNO2/c1-11(2)14-10-15(12(3)9-16(14)22)21-18(17(20)19(21)23)13-7-5-4-6-8-13/h4-11,17-18,22H,1-3H3
InChIKey
GYPDZADHLHTIPE-UHFFFAOYSA-N
Compound name
3-chloro-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11826 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12554 172.9
[M+Na]+ 352.10748 181.6
[M-H]- 328.11098 180.1
[M+NH4]+ 347.15208 180.2
[M+K]+ 368.08142 178.3
[M+H-H2O]+ 312.11552 160.1
[M+HCOO]- 374.11646 186.1
[M+CH3COO]- 388.13211 212.7
[M+Na-2H]- 350.09293 171.8
[M]+ 329.11771 184.1
[M]- 329.11881 184.1
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.