CID 81534

2,2'-(1,4-phenylene)bis(5-(4-methylphenyl)oxazole)

Structural Information

Molecular Formula
C26H20N2O2
SMILES
CC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=C(C=C5)C
InChI
InChI=1S/C26H20N2O2/c1-17-3-7-19(8-4-17)23-15-27-25(29-23)21-11-13-22(14-12-21)26-28-16-24(30-26)20-9-5-18(2)6-10-20/h3-16H,1-2H3
InChIKey
VUDFDHUOFUAARZ-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)-2-[4-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

392.15247 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.159746 194.7
[M+Na]+ 415.141688 205.4
[M-H]- 391.145194 210.8
[M+NH4]+ 410.186293 203.7
[M+K]+ 431.115628 200.5
[M+H-H2O]+ 375.149730 184.5
[M+HCOO]- 437.150671 217.2
[M+CH3COO]- 451.166321 206.4
[M+Na-2H]- 413.127136 194.7
[M]+ 392.15192142 199.7
[M]- 392.15301858 199.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe