CID 6447765

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

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]+ 337.118276 177.6
[M+Na]+ 359.100218 186.4
[M-H]- 335.103724 184.4
[M+NH4]+ 354.144823 189.5
[M+K]+ 375.074158 181.2
[M+H-H2O]+ 319.108260 168.4
[M+HCOO]- 381.109201 197.1
[M+CH3COO]- 395.124851 208.2
[M+Na-2H]- 357.085666 176.7
[M]+ 336.11045142 179.2
[M]- 336.11154858 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.