CID 639420

6488-88-6

Structural Information

Molecular Formula
C10H8N4
SMILES
C1=CC=C2C(=C1)NC(=N2)N3C=CC=N3
InChI
InChI=1S/C10H8N4/c1-2-5-9-8(4-1)12-10(13-9)14-7-3-6-11-14/h1-7H,(H,12,13)
InChIKey
QMKRHMVAGXMKAA-UHFFFAOYSA-N
Compound name
2-pyrazol-1-yl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

184.07489 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08217 136.6
[M+Na]+ 207.06411 151.1
[M+NH4]+ 202.10871 144.9
[M+K]+ 223.03805 147.9
[M-H]- 183.06761 138.4
[M+Na-2H]- 205.04956 145.3
[M]+ 184.07434 139.1
[M]- 184.07544 139.1
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

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