CID 135464491

2-(2h-indazol-3-yl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C14H10N4
SMILES
C1=CC=C2C(=C1)C(=NN2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
InChIKey
JTKFRFMSUBOCIQ-UHFFFAOYSA-N
Compound name
2-(1H-indazol-3-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

160
Patents

234.09055 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09783 149.3
[M+Na]+ 257.07977 161.7
[M-H]- 233.08327 151.8
[M+NH4]+ 252.12437 166.1
[M+K]+ 273.05371 154.1
[M+H-H2O]+ 217.08781 140.7
[M+HCOO]- 279.08875 169.5
[M+CH3COO]- 293.10440 161.8
[M+Na-2H]- 255.06522 156.8
[M]+ 234.09000 149.9
[M]- 234.09110 149.9
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.