CID 392272

1-(3-nitropyridin-2-yl)-1h-benzo[d]imidazole

Structural Information

Molecular Formula
C12H8N4O2
SMILES
C1=CC=C2C(=C1)N=CN2C3=C(C=CC=N3)[N+](=O)[O-]
InChI
InChI=1S/C12H8N4O2/c17-16(18)11-6-3-7-13-12(11)15-8-14-9-4-1-2-5-10(9)15/h1-8H
InChIKey
LGXFJUDOIQFSEW-UHFFFAOYSA-N
Compound name
1-(3-nitropyridin-2-yl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

240.06473 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07201 148.4
[M+Na]+ 263.05395 158.0
[M-H]- 239.05745 153.2
[M+NH4]+ 258.09855 163.6
[M+K]+ 279.02789 149.6
[M+H-H2O]+ 223.06199 143.5
[M+HCOO]- 285.06293 172.4
[M+CH3COO]- 299.07858 185.5
[M+Na-2H]- 261.03940 159.2
[M]+ 240.06418 148.5
[M]- 240.06528 148.5
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.