CID 12405513

51294-32-7

Structural Information

Molecular Formula
C10H5N5
SMILES
C1=CN=CC=C1C2=NC(=C(N2)C#N)C#N
InChI
InChI=1S/C10H5N5/c11-5-8-9(6-12)15-10(14-8)7-1-3-13-4-2-7/h1-4H,(H,14,15)
InChIKey
XCXUKZHRUZJBCO-UHFFFAOYSA-N
Compound name
2-pyridin-4-yl-1H-imidazole-4,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

195.05449 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.061766 151.0
[M+Na]+ 218.043708 160.8
[M-H]- 194.047214 150.7
[M+NH4]+ 213.088313 160.7
[M+K]+ 234.017648 155.9
[M+H-H2O]+ 178.051750 132.4
[M+HCOO]- 240.052691 160.9
[M+CH3COO]- 254.068341 157.4
[M+Na-2H]- 216.029156 152.8
[M]+ 195.05394142 141.0
[M]- 195.05503858 141.0
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