CID 366007

Nsc634180

Structural Information

Molecular Formula
C14H10N4
SMILES
C1=CC=C2C(=C1)NC(=N2)C(C#N)C3=CC=CC=N3
InChI
InChI=1S/C14H10N4/c15-9-10(11-5-3-4-8-16-11)14-17-12-6-1-2-7-13(12)18-14/h1-8,10H,(H,17,18)
InChIKey
VFXXZVZZYCCKAQ-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-2-pyridin-2-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.09055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09783 154.6
[M+Na]+ 257.07977 165.4
[M-H]- 233.08327 154.9
[M+NH4]+ 252.12437 167.7
[M+K]+ 273.05371 157.4
[M+H-H2O]+ 217.08781 138.2
[M+HCOO]- 279.08875 170.4
[M+CH3COO]- 293.10440 164.1
[M+Na-2H]- 255.06522 160.2
[M]+ 234.09000 148.3
[M]- 234.09110 148.3
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.