CID 763936

2-(1h-pyrazol-3-yl)-1h-benzimidazole

Structural Information

Molecular Formula
C10H8N4
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=NN3
InChI
InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
InChIKey
IYTGPPNUOLLGBE-UHFFFAOYSA-N
Compound name
2-(1H-pyrazol-5-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

99
Patents

184.07489 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08217 136.5
[M+Na]+ 207.06411 147.3
[M-H]- 183.06761 137.4
[M+NH4]+ 202.10871 154.1
[M+K]+ 223.03805 141.8
[M+H-H2O]+ 167.07215 128.0
[M+HCOO]- 229.07309 156.8
[M+CH3COO]- 243.08874 149.2
[M+Na-2H]- 205.04956 143.2
[M]+ 184.07434 135.0
[M]- 184.07544 135.0
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.