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

127
Patents

184.07489 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.082166 136.5
[M+Na]+ 207.064108 147.3
[M-H]- 183.067614 137.4
[M+NH4]+ 202.108713 154.1
[M+K]+ 223.038048 141.8
[M+H-H2O]+ 167.072150 128.0
[M+HCOO]- 229.073091 156.8
[M+CH3COO]- 243.088741 149.2
[M+Na-2H]- 205.049556 143.2
[M]+ 184.07434142 135.0
[M]- 184.07543858 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

literature stripe

Patent stripe

patents stripe