CID 789950

63411-79-0

Structural Information

Molecular Formula
C11H8N4
SMILES
C1=CN=CC=C1C2=NC3=C(N2)C=NC=C3
InChI
InChI=1S/C11H8N4/c1-4-12-5-2-8(1)11-14-9-3-6-13-7-10(9)15-11/h1-7H,(H,14,15)
InChIKey
NEAHTABRXFKZGG-UHFFFAOYSA-N
Compound name
2-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

661
Patents

196.07489 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.082166 140.1
[M+Na]+ 219.064108 151.2
[M-H]- 195.067614 141.8
[M+NH4]+ 214.108713 156.0
[M+K]+ 235.038048 145.4
[M+H-H2O]+ 179.072150 130.7
[M+HCOO]- 241.073091 160.7
[M+CH3COO]- 255.088741 152.8
[M+Na-2H]- 217.049556 149.8
[M]+ 196.07434142 139.8
[M]- 196.07543858 139.8
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