CID 30125

Abbott-28440

Structural Information

Molecular Formula

C₁₁H₁₂Cl₂N₂O

SMILES

CCN(C1CC1)C(=O)C2=CC(=NC(=C2)Cl)Cl

InChI

InChI=1S/C11H12Cl2N2O/c1-2-15(8-3-4-8)11(16)7-5-9(12)14-10(13)6-7/h5-6,8H,2-4H2,1H3

InChIKey

UAPVKLXMGJZRAV-UHFFFAOYSA-N

Compound name

2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 258.03265 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.039926	151.4
[M+Na]+	281.021868	161.4
[M-H]-	257.025374	157.9
[M+NH4]+	276.066473	164.0
[M+K]+	296.995808	156.3
[M+H-H2O]+	241.029910	144.8
[M+HCOO]-	303.030851	166.0
[M+CH3COO]-	317.046501	201.1
[M+Na-2H]-	279.007316	154.7
[M]+	258.03210142	157.6
[M]-	258.03319858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe