CID 473213

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

Structural Information

Molecular Formula
C20H22ClNO4
SMILES
CC1=CC(=C(C=C1N2C(C(C2=O)Cl)C3=CC(=C(C=C3)O)OC)C(C)C)O
InChI
InChI=1S/C20H22ClNO4/c1-10(2)13-9-14(11(3)7-16(13)24)22-19(18(21)20(22)25)12-5-6-15(23)17(8-12)26-4/h5-10,18-19,23-24H,1-4H3
InChIKey
ONRWLYWTLFYACJ-UHFFFAOYSA-N
Compound name
3-chloro-4-(4-hydroxy-3-methoxyphenyl)-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

375.12375 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.13103 184.2
[M+Na]+ 398.11297 192.8
[M-H]- 374.11647 190.5
[M+NH4]+ 393.15757 189.1
[M+K]+ 414.08691 190.5
[M+H-H2O]+ 358.12101 171.3
[M+HCOO]- 420.12195 195.7
[M+CH3COO]- 434.13760 220.2
[M+Na-2H]- 396.09842 180.7
[M]+ 375.12320 197.4
[M]- 375.12430 197.4
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.