CID 117622

25744-09-6

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 199.4
[M+Na]+ 443.10022 216.1
[M+NH4]+ 438.14482 205.5
[M+K]+ 459.07416 211.6
[M-H]- 419.10372 209.7
[M+Na-2H]- 441.08567 209.2
[M]+ 420.11045 204.8
[M]- 420.11155 204.8
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