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]+ 266.09238 157.7
[M+Na]+ 288.07432 166.0
[M-H]- 264.07782 162.1
[M+NH4]+ 283.11892 172.6
[M+K]+ 304.04826 155.7
[M+H-H2O]+ 248.08236 153.6
[M+HCOO]- 310.08330 180.8
[M+CH3COO]- 324.09895 187.3
[M+Na-2H]- 286.05977 166.3
[M]+ 265.08455 155.9
[M]- 265.08565 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.