CID 6474267

Chembl4574112

Structural Information

Molecular Formula
C23H15N5O3
SMILES
C1=CC=C(C=C1)/C=C/C2=NN=C(O2)C3=CC=CC=C3C4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C23H15N5O3/c29-28(30)16-11-12-19-20(14-16)25-22(24-19)17-8-4-5-9-18(17)23-27-26-21(31-23)13-10-15-6-2-1-3-7-15/h1-14H,(H,24,25)/b13-10+
InChIKey
RQRJTQJRGRONJV-JLHYYAGUSA-N
Compound name
2-[2-(6-nitro-1H-benzimidazol-2-yl)phenyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.1175 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.12478 194.1
[M+Na]+ 432.10672 201.4
[M-H]- 408.11022 203.5
[M+NH4]+ 427.15132 199.7
[M+K]+ 448.08066 190.3
[M+H-H2O]+ 392.11476 186.5
[M+HCOO]- 454.11570 213.4
[M+CH3COO]- 468.13135 214.1
[M+Na-2H]- 430.09217 199.1
[M]+ 409.11695 193.6
[M]- 409.11805 193.6
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.