CID 170995

2,2'-(1,4-phenylene)bis[4-[(4-methoxyphenyl)methylene]-5(4h)-oxazolone]

Structural Information

Molecular Formula
C28H20N2O6
SMILES
COC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)C4=NC(=CC5=CC=C(C=C5)OC)C(=O)O4
InChI
InChI=1S/C28H20N2O6/c1-33-21-11-3-17(4-12-21)15-23-27(31)35-25(29-23)19-7-9-20(10-8-19)26-30-24(28(32)36-26)16-18-5-13-22(34-2)14-6-18/h3-16H,1-2H3
InChIKey
XZRFHDOOIZDXFC-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)methylidene]-2-[4-[4-[(4-methoxyphenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

480.13214 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.13942 214.8
[M+Na]+ 503.12136 223.3
[M-H]- 479.12486 230.6
[M+NH4]+ 498.16596 219.7
[M+K]+ 519.09530 219.4
[M+H-H2O]+ 463.12940 204.3
[M+HCOO]- 525.13034 233.8
[M+CH3COO]- 539.14599 224.3
[M+Na-2H]- 501.10681 210.3
[M]+ 480.13159 219.7
[M]- 480.13269 219.7
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.