CID 6939027

Nsc63139

Structural Information

Molecular Formula
C14H11Cl2N3O
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2N3O/c1-9(11-2-3-12(15)13(16)8-11)18-19-14(20)10-4-6-17-7-5-10/h2-8H,1H3,(H,19,20)/b18-9+
InChIKey
VMWHFEYYQDXBSW-GIJQJNRQSA-N
Compound name
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

307.02792 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.03520 167.0
[M+Na]+ 330.01714 175.4
[M-H]- 306.02064 173.0
[M+NH4]+ 325.06174 181.8
[M+K]+ 345.99108 169.4
[M+H-H2O]+ 290.02518 159.5
[M+HCOO]- 352.02612 182.5
[M+CH3COO]- 366.04177 208.0
[M+Na-2H]- 328.00259 171.2
[M]+ 307.02737 170.1
[M]- 307.02847 170.1
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.