CID 135409975

940062-26-0

Structural Information

Molecular Formula
C13H9Cl2N3O2
SMILES
C1=CN=CC=C1C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)O
InChI
InChI=1S/C13H9Cl2N3O2/c14-10-5-9(12(19)11(15)6-10)7-17-18-13(20)8-1-3-16-4-2-8/h1-7,19H,(H,18,20)/b17-7+
InChIKey
LKSNAGMUEYRBPX-REZTVBANSA-N
Compound name
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

309.00717 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.01445 165.3
[M+Na]+ 331.99639 174.8
[M-H]- 307.99989 170.5
[M+NH4]+ 327.04099 179.6
[M+K]+ 347.97033 168.4
[M+H-H2O]+ 292.00443 158.3
[M+HCOO]- 354.00537 180.9
[M+CH3COO]- 368.02102 205.1
[M+Na-2H]- 329.98184 170.1
[M]+ 309.00662 168.5
[M]- 309.00772 168.5
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.