CID 6475269

3-chloro-1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-4-[(e)-styryl]azetidin-2-one

Structural Information

Molecular Formula
C21H22ClNO2
SMILES
CC1=CC(=C(C=C1N2C(C(C2=O)Cl)/C=C/C3=CC=CC=C3)C(C)C)O
InChI
InChI=1S/C21H22ClNO2/c1-13(2)16-12-18(14(3)11-19(16)24)23-17(20(22)21(23)25)10-9-15-7-5-4-6-8-15/h4-13,17,20,24H,1-3H3/b10-9+
InChIKey
BOAHOIPJFXXWEN-MDZDMXLPSA-N
Compound name
3-chloro-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1339 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14118 181.6
[M+Na]+ 378.12312 189.7
[M-H]- 354.12662 188.4
[M+NH4]+ 373.16772 187.8
[M+K]+ 394.09706 185.5
[M+H-H2O]+ 338.13116 168.4
[M+HCOO]- 400.13210 194.3
[M+CH3COO]- 414.14775 217.1
[M+Na-2H]- 376.10857 179.3
[M]+ 355.13335 192.7
[M]- 355.13445 192.7
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.