CID 6447269

Brn 0828778

Structural Information

Molecular Formula
C15H16N2O5
SMILES
CC1=N/C(=C/C2=CC(=C(C=C2)OC)O)/C(=O)N1CCC(=O)O
InChI
InChI=1S/C15H16N2O5/c1-9-16-11(15(21)17(9)6-5-14(19)20)7-10-3-4-13(22-2)12(18)8-10/h3-4,7-8,18H,5-6H2,1-2H3,(H,19,20)/b11-7+
InChIKey
AXWQHDXYFPWZMY-YRNVUSSQSA-N
Compound name
3-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.10593 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11321 170.7
[M+Na]+ 327.09515 181.1
[M+NH4]+ 322.13975 174.5
[M+K]+ 343.06909 179.1
[M-H]- 303.09865 169.7
[M+Na-2H]- 325.08060 173.0
[M]+ 304.10538 171.4
[M]- 304.10648 171.4
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.