CID 3044880

Brn 0529749

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-dichloropyridin-4-yl)-(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]+ 258.01955 152.5
[M+Na]+ 280.00149 163.3
[M-H]- 256.00499 154.8
[M+NH4]+ 275.04609 168.5
[M+K]+ 295.97543 157.9
[M+H-H2O]+ 240.00953 144.4
[M+HCOO]- 302.01047 162.8
[M+CH3COO]- 316.02612 164.3
[M+Na-2H]- 277.98694 154.1
[M]+ 257.01172 154.8
[M]- 257.01282 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.