CID 27511

P 1059

Structural Information

Molecular Formula

C₉H₉Cl₂N₃O

SMILES

CC(=NNC(=O)C1=CC(=NC(=C1)Cl)Cl)C

InChI

InChI=1S/C9H9Cl2N3O/c1-5(2)13-14-9(15)6-3-7(10)12-8(11)4-6/h3-4H,1-2H3,(H,14,15)

InChIKey

QGHBIZMKYMHCAX-UHFFFAOYSA-N

Compound name

2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 245.01227 Da
Monoisotopic Mass: 2.2
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]+	246.01955	149.7
[M+Na]+	268.00149	162.4
[M+NH4]+	263.04609	157.4
[M+K]+	283.97543	155.8
[M-H]-	244.00499	151.7
[M+Na-2H]-	265.98694	156.1
[M]+	245.01172	152.5
[M]-	245.01282	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe