CID 639420

2-(1h-pyrazol-1-yl)-1h-1,3-benzodiazole

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 136.2
[M+Na]+ 207.06411 147.5
[M-H]- 183.06761 138.4
[M+NH4]+ 202.10871 154.5
[M+K]+ 223.03805 142.8
[M+H-H2O]+ 167.07215 127.4
[M+HCOO]- 229.07309 158.0
[M+CH3COO]- 243.08874 149.6
[M+Na-2H]- 205.04956 143.3
[M]+ 184.07434 136.5
[M]- 184.07544 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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