CID 473207

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

Structural Information

Molecular Formula
C17H18ClNO3
SMILES
CC1=CC(=C(C=C1N2C(C(C2=O)Cl)C3=COC=C3)C(C)C)O
InChI
InChI=1S/C17H18ClNO3/c1-9(2)12-7-13(10(3)6-14(12)20)19-16(15(18)17(19)21)11-4-5-22-8-11/h4-9,15-16,20H,1-3H3
InChIKey
BLLOQVCHUJSMIL-UHFFFAOYSA-N
Compound name
3-chloro-4-(furan-3-yl)-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

319.09753 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10481 167.1
[M+Na]+ 342.08675 176.0
[M-H]- 318.09025 175.5
[M+NH4]+ 337.13135 175.3
[M+K]+ 358.06069 174.7
[M+H-H2O]+ 302.09479 155.7
[M+HCOO]- 364.09573 181.0
[M+CH3COO]- 378.11138 209.0
[M+Na-2H]- 340.07220 165.4
[M]+ 319.09698 180.3
[M]- 319.09808 180.3
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.