CID 473210

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

Structural Information

Molecular Formula
C19H20ClNO3
SMILES
CC1=CC(=C(C=C1N2C(C(C2=O)Cl)C3=CC=C(C=C3)O)C(C)C)O
InChI
InChI=1S/C19H20ClNO3/c1-10(2)14-9-15(11(3)8-16(14)23)21-18(17(20)19(21)24)12-4-6-13(22)7-5-12/h4-10,17-18,22-23H,1-3H3
InChIKey
VNSGWPTXUYYKOO-UHFFFAOYSA-N
Compound name
3-chloro-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-(4-hydroxyphenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.11316 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12044 177.0
[M+Na]+ 368.10238 185.7
[M-H]- 344.10588 183.2
[M+NH4]+ 363.14698 183.1
[M+K]+ 384.07632 182.6
[M+H-H2O]+ 328.11042 164.4
[M+HCOO]- 390.11136 188.9
[M+CH3COO]- 404.12701 213.9
[M+Na-2H]- 366.08783 174.7
[M]+ 345.11261 188.2
[M]- 345.11371 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.