CID 6447765

4-(4,5-dihydro-4-((2-methoxyphenyl)methylene)-2-methyl-5-oxo-1h-imidazol-1-yl)benzoic acid

Structural Information

Molecular Formula
C19H16N2O4
SMILES
CC1=N/C(=C/C2=CC=CC=C2OC)/C(=O)N1C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C19H16N2O4/c1-12-20-16(11-14-5-3-4-6-17(14)25-2)18(22)21(12)15-9-7-13(8-10-15)19(23)24/h3-11H,1-2H3,(H,23,24)/b16-11+
InChIKey
ZFQRCECMQOVODU-LFIBNONCSA-N
Compound name
4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.111 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11828 179.4
[M+Na]+ 359.10022 193.0
[M+NH4]+ 354.14482 184.8
[M+K]+ 375.07416 188.8
[M-H]- 335.10372 182.3
[M+Na-2H]- 357.08567 186.0
[M]+ 336.11045 182.0
[M]- 336.11155 182.0
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.