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 180.6
[M+Na]+ 375.09515 189.5
[M-H]- 351.09865 186.5
[M+NH4]+ 370.13975 191.3
[M+K]+ 391.06909 184.4
[M+H-H2O]+ 335.10319 171.7
[M+HCOO]- 397.10413 198.7
[M+CH3COO]- 411.11978 209.6
[M+Na-2H]- 373.08060 178.8
[M]+ 352.10538 182.2
[M]- 352.10648 182.2
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.