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

133
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

literature stripe

Patent stripe

patents stripe