CID 117622

Dtxsid5067134

Structural Information

Molecular Formula
C26H16N2O4
SMILES
C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)C=C4C(=O)OC(=N4)C5=CC=CC=C5)C(=O)O2
InChI
InChI=1S/C26H16N2O4/c29-25-21(27-23(31-25)19-7-3-1-4-8-19)15-17-11-13-18(14-12-17)16-22-26(30)32-24(28-22)20-9-5-2-6-10-20/h1-16H
InChIKey
XYSKEVMXUOWHBI-UHFFFAOYSA-N
Compound name
4-[[4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

420.111 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.11828 200.5
[M+Na]+ 443.10022 208.9
[M-H]- 419.10372 215.7
[M+NH4]+ 438.14482 207.6
[M+K]+ 459.07416 203.6
[M+H-H2O]+ 403.10826 190.1
[M+HCOO]- 465.10920 219.9
[M+CH3COO]- 479.12485 210.5
[M+Na-2H]- 441.08567 197.8
[M]+ 420.11045 201.1
[M]- 420.11155 201.1
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

patents stripe