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 177.6
[M+Na]+ 359.10022 186.4
[M-H]- 335.10372 184.4
[M+NH4]+ 354.14482 189.5
[M+K]+ 375.07416 181.2
[M+H-H2O]+ 319.10826 168.4
[M+HCOO]- 381.10920 197.1
[M+CH3COO]- 395.12485 208.2
[M+Na-2H]- 357.08567 176.7
[M]+ 336.11045 179.2
[M]- 336.11155 179.2
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.