CID 516096

6-(3,5-dichloroanilino)-1,5-dihydroimidazo[4,5-c]pyridin-4-one

Structural Information

Molecular Formula
C12H8Cl2N4O
SMILES
C1=C(C=C(C=C1Cl)Cl)NC2=CC3=C(C(=O)N2)N=CN3
InChI
InChI=1S/C12H8Cl2N4O/c13-6-1-7(14)3-8(2-6)17-10-4-9-11(12(19)18-10)16-5-15-9/h1-5H,(H,15,16)(H2,17,18,19)
InChIKey
JLQCIKYRVNNKJT-UHFFFAOYSA-N
Compound name
6-(3,5-dichloroanilino)-1,5-dihydroimidazo[4,5-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.0075 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.01478 160.0
[M+Na]+ 316.99672 172.8
[M-H]- 293.00022 161.5
[M+NH4]+ 312.04132 174.2
[M+K]+ 332.97066 163.9
[M+H-H2O]+ 277.00476 152.3
[M+HCOO]- 339.00570 171.4
[M+CH3COO]- 353.02135 171.2
[M+Na-2H]- 314.98217 165.6
[M]+ 294.00695 162.0
[M]- 294.00805 162.0
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

No patent data available for this compound.