CID 460063

1h-benzimidazole, 5-nitro-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-

Structural Information

Molecular Formula
C21H13N5O3
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3C4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C21H13N5O3/c27-26(28)14-10-11-17-18(12-14)23-19(22-17)15-8-4-5-9-16(15)21-25-24-20(29-21)13-6-2-1-3-7-13/h1-12H,(H,22,23)
InChIKey
ACGDMESLGRRCJG-UHFFFAOYSA-N
Compound name
2-[2-(6-nitro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.10184 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.109116 184.8
[M+Na]+ 406.091058 192.9
[M-H]- 382.094564 194.6
[M+NH4]+ 401.135663 191.6
[M+K]+ 422.064998 182.7
[M+H-H2O]+ 366.099100 177.7
[M+HCOO]- 428.100041 204.8
[M+CH3COO]- 442.115691 209.8
[M+Na-2H]- 404.076506 191.1
[M]+ 383.10129142 184.6
[M]- 383.10238858 184.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.