CID 473219

(5e)-5-[(3-aminophenyl)methylene]-1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-2-methyl-imidazol-4-one

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CC1=CC(=C(C=C1N2C(=NC(=O)C2=CC3=CC(=CC=C3)N)C)C(C)C)O
InChI
InChI=1S/C21H23N3O2/c1-12(2)17-11-18(13(3)8-20(17)25)24-14(4)23-21(26)19(24)10-15-6-5-7-16(22)9-15/h5-12,25H,22H2,1-4H3
InChIKey
MPMNHAXIKNLTKH-UHFFFAOYSA-N
Compound name
5-[(3-aminophenyl)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

349.17902 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 187.0
[M+Na]+ 372.16824 195.9
[M-H]- 348.17174 193.7
[M+NH4]+ 367.21284 198.7
[M+K]+ 388.14218 189.3
[M+H-H2O]+ 332.17628 178.0
[M+HCOO]- 394.17722 205.6
[M+CH3COO]- 408.19287 217.7
[M+Na-2H]- 370.15369 183.0
[M]+ 349.17847 186.4
[M]- 349.17957 186.4
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.