CID 6941499

Nsc63138

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
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

patents stripe