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-nitro-2-pyridinyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
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

patents stripe