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
2
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]+ 354.134936 175.5
[M+Na]+ 376.116878 185.1
[M-H]- 352.120384 185.3
[M+NH4]+ 371.161483 183.4
[M+K]+ 392.090818 178.2
[M+H-H2O]+ 336.124920 164.7
[M+HCOO]- 398.125861 194.6
[M+CH3COO]- 412.141511 185.8
[M+Na-2H]- 374.102326 175.4
[M]+ 353.12711142 175.5
[M]- 353.12820858 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.