CID 5200542

Brn 0940046

Structural Information

Molecular Formula
C12H9N7O4
SMILES
C1=CC=NC(=C1)NNC2=C(C=C3C(=C2[N+](=O)[O-])N=CN3)[N+](=O)[O-]
InChI
InChI=1S/C12H9N7O4/c20-18(21)8-5-7-10(15-6-14-7)12(19(22)23)11(8)17-16-9-3-1-2-4-13-9/h1-6,17H,(H,13,16)(H,14,15)
InChIKey
BOQGDPBKHPAOAO-UHFFFAOYSA-N
Compound name
1-(4,6-dinitro-1H-benzimidazol-5-yl)-2-pyridin-2-ylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0716 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07888 157.6
[M+Na]+ 338.06082 162.5
[M-H]- 314.06432 161.3
[M+NH4]+ 333.10542 166.7
[M+K]+ 354.03476 150.1
[M+H-H2O]+ 298.06886 156.4
[M+HCOO]- 360.06980 182.0
[M+CH3COO]- 374.08545 195.9
[M+Na-2H]- 336.04627 171.9
[M]+ 315.07105 152.9
[M]- 315.07215 152.9
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.