CID 473227

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

Structural Information

Molecular Formula
C23H27N3O2
SMILES
CC1=CC(=C(C=C1N2C(=NC(=O)C2=CC3=CC=C(C=C3)N(C)C)C)C(C)C)O
InChI
InChI=1S/C23H27N3O2/c1-14(2)19-13-20(15(3)11-22(19)27)26-16(4)24-23(28)21(26)12-17-7-9-18(10-8-17)25(5)6/h7-14,27H,1-6H3
InChIKey
UXGHPZJUDFTZGI-UHFFFAOYSA-N
Compound name
5-[[4-(dimethylamino)phenyl]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

377.21033 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 194.0
[M+Na]+ 400.19955 202.1
[M-H]- 376.20305 202.3
[M+NH4]+ 395.24415 205.4
[M+K]+ 416.17349 196.7
[M+H-H2O]+ 360.20759 184.4
[M+HCOO]- 422.20853 213.1
[M+CH3COO]- 436.22418 227.3
[M+Na-2H]- 398.18500 189.4
[M]+ 377.20978 196.3
[M]- 377.21088 196.3
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.