CID 12377413

57964-55-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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

literature stripe

Patent stripe

patents stripe