CID 6478457

Chembl82388

Structural Information

Molecular Formula
C18H14N2O3
SMILES
CC(=O)ON1C(=N/C(=C\C2=CC=CC=C2)/C1=O)C3=CC=CC=C3
InChI
InChI=1S/C18H14N2O3/c1-13(21)23-20-17(15-10-6-3-7-11-15)19-16(18(20)22)12-14-8-4-2-5-9-14/h2-12H,1H3/b16-12-
InChIKey
ZZEZCTHRXOIBNR-VBKFSLOCSA-N
Compound name
[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10043 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10771 170.5
[M+Na]+ 329.08965 178.7
[M-H]- 305.09315 178.1
[M+NH4]+ 324.13425 184.0
[M+K]+ 345.06359 173.7
[M+H-H2O]+ 289.09769 160.8
[M+HCOO]- 351.09863 191.7
[M+CH3COO]- 365.11428 202.2
[M+Na-2H]- 327.07510 171.8
[M]+ 306.09988 171.2
[M]- 306.10098 171.2
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.