CID 5753691

Chembl574073

Structural Information

Molecular Formula
C15H11N3O2
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H11N3O2/c19-18(20)12-7-8-13-14(10-12)17-15(16-13)9-6-11-4-2-1-3-5-11/h1-10H,(H,16,17)/b9-6+
InChIKey
SZVBXPRXXQDRKI-RMKNXTFCSA-N
Compound name
6-nitro-2-[(E)-2-phenylethenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.0851 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.092376 157.7
[M+Na]+ 288.074318 166.0
[M-H]- 264.077824 162.1
[M+NH4]+ 283.118923 172.6
[M+K]+ 304.048258 155.7
[M+H-H2O]+ 248.082360 153.6
[M+HCOO]- 310.083301 180.8
[M+CH3COO]- 324.098951 187.3
[M+Na-2H]- 286.059766 166.3
[M]+ 265.08455142 155.9
[M]- 265.08564858 155.9
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.