CID 459922

Ak.26

Structural Information

Molecular Formula
C21H19N5O
SMILES
C1CN=C(N1)C2=CC=C(C=C2)C3=CN=C(O3)C4=CC=C(C=C4)C5=NCCN5
InChI
InChI=1S/C21H19N5O/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/h1-8,13H,9-12H2,(H,22,23)(H,24,25)
InChIKey
WPSOPVNFLULSAT-UHFFFAOYSA-N
Compound name
2,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.15897 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16625 178.6
[M+Na]+ 380.14819 185.2
[M-H]- 356.15169 187.2
[M+NH4]+ 375.19279 186.0
[M+K]+ 396.12213 178.9
[M+H-H2O]+ 340.15623 167.3
[M+HCOO]- 402.15717 193.6
[M+CH3COO]- 416.17282 187.3
[M+Na-2H]- 378.13364 175.4
[M]+ 357.15842 174.5
[M]- 357.15952 174.5
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.