CID 3044880

1h-imidazole, 4,5-dihydro-1-((2,6-dichloro-4-pyridinyl)carbonyl)-2-methyl-

Structural Information

Molecular Formula
C10H9Cl2N3O
SMILES
CC1=NCCN1C(=O)C2=CC(=NC(=C2)Cl)Cl
InChI
InChI=1S/C10H9Cl2N3O/c1-6-13-2-3-15(6)10(16)7-4-8(11)14-9(12)5-7/h4-5H,2-3H2,1H3
InChIKey
OPODIOSIQDIKRP-UHFFFAOYSA-N
Compound name
(2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.01227 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.019546 152.5
[M+Na]+ 280.001488 163.3
[M-H]- 256.004994 154.8
[M+NH4]+ 275.046093 168.5
[M+K]+ 295.975428 157.9
[M+H-H2O]+ 240.009530 144.4
[M+HCOO]- 302.010471 162.8
[M+CH3COO]- 316.026121 164.3
[M+Na-2H]- 277.986936 154.1
[M]+ 257.01172142 154.8
[M]- 257.01281858 154.8
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.