CID 6435579

Benzoic acid, p-(4-(4-hydroxy-3-methoxybenzylidene)-2-methyl-5-oxo-2-imidazolin-1-yl)-

Structural Information

Molecular Formula
C19H16N2O5
SMILES
CC1=N/C(=C\C2=CC(=C(C=C2)O)OC)/C(=O)N1C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C19H16N2O5/c1-11-20-15(9-12-3-8-16(22)17(10-12)26-2)18(23)21(11)14-6-4-13(5-7-14)19(24)25/h3-10,22H,1-2H3,(H,24,25)/b15-9-
InChIKey
BSPIZJQAHAWPJO-DHDCSXOGSA-N
Compound name
4-[(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.10593 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11321 183.1
[M+Na]+ 375.09515 196.0
[M+NH4]+ 370.13975 187.5
[M+K]+ 391.06909 192.8
[M-H]- 351.09865 185.1
[M+Na-2H]- 373.08060 188.4
[M]+ 352.10538 185.2
[M]- 352.10648 185.2
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.