CID 6435469

Benzoic acid, p-(4-benzylidene-2-methyl-5-oxo-2-imidazolin-1-yl)-

Structural Information

Molecular Formula
C18H14N2O3
SMILES
CC1=N/C(=C\C2=CC=CC=C2)/C(=O)N1C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C18H14N2O3/c1-12-19-16(11-13-5-3-2-4-6-13)17(21)20(12)15-9-7-14(8-10-15)18(22)23/h2-11H,1H3,(H,22,23)/b16-11-
InChIKey
VPXBTMZLTALUCI-WJDWOHSUSA-N
Compound name
4-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10771 172.0
[M+Na]+ 329.08965 185.9
[M+NH4]+ 324.13425 178.1
[M+K]+ 345.06359 181.1
[M-H]- 305.09315 175.3
[M+Na-2H]- 327.07510 179.5
[M]+ 306.09988 174.7
[M]- 306.10098 174.7
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.