CID 473221

(5e)-5-[(4-chlorophenyl)methylene]-1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-2-methyl-imidazol-4-one

Structural Information

Molecular Formula
C21H21ClN2O2
SMILES
CC1=CC(=C(C=C1N2C(=NC(=O)C2=CC3=CC=C(C=C3)Cl)C)C(C)C)O
InChI
InChI=1S/C21H21ClN2O2/c1-12(2)17-11-18(13(3)9-20(17)25)24-14(4)23-21(26)19(24)10-15-5-7-16(22)8-6-15/h5-12,25H,1-4H3
InChIKey
FSHSKKODWPYJMM-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenyl)methylidene]-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.12915 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13643 188.5
[M+Na]+ 391.11837 199.1
[M-H]- 367.12187 195.4
[M+NH4]+ 386.16297 200.9
[M+K]+ 407.09231 191.1
[M+H-H2O]+ 351.12641 180.0
[M+HCOO]- 413.12735 202.1
[M+CH3COO]- 427.14300 216.6
[M+Na-2H]- 389.10382 184.4
[M]+ 368.12860 191.7
[M]- 368.12970 191.7
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.