CID 473613

Ak.107

Structural Information

Molecular Formula
C21H15N5O
SMILES
C1=CC(=CC=C1C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=CN4)C5=NC=CN5
InChI
InChI=1S/C21H15N5O/c1-3-15(19-22-9-10-23-19)4-2-14(1)18-13-26-21(27-18)17-7-5-16(6-8-17)20-24-11-12-25-20/h1-13H,(H,22,23)(H,24,25)
InChIKey
POIOBVFAFSUWGR-UHFFFAOYSA-N
Compound name
2,5-bis[4-(1H-imidazol-2-yl)phenyl]-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.12766 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13494 175.5
[M+Na]+ 376.11688 185.1
[M-H]- 352.12038 185.3
[M+NH4]+ 371.16148 183.4
[M+K]+ 392.09082 178.2
[M+H-H2O]+ 336.12492 164.7
[M+HCOO]- 398.12586 194.6
[M+CH3COO]- 412.14151 185.8
[M+Na-2H]- 374.10233 175.4
[M]+ 353.12711 175.5
[M]- 353.12821 175.5
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

No patent data available for this compound.