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]+ 346.120436 177.0
[M+Na]+ 368.102378 185.7
[M-H]- 344.105884 183.2
[M+NH4]+ 363.146983 183.1
[M+K]+ 384.076318 182.6
[M+H-H2O]+ 328.110420 164.4
[M+HCOO]- 390.111361 188.9
[M+CH3COO]- 404.127011 213.9
[M+Na-2H]- 366.087826 174.7
[M]+ 345.11261142 188.2
[M]- 345.11370858 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.