CID 5402683

315206-59-8

Structural Information

Molecular Formula
C13H10Cl2N4O
SMILES
C/C(=N\NC(=O)C1=NC=CN=C1)/C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H10Cl2N4O/c1-8(10-3-2-9(14)6-11(10)15)18-19-13(20)12-7-16-4-5-17-12/h2-7H,1H3,(H,19,20)/b18-8+
InChIKey
SXOBWPRWSZVWGQ-QGMBQPNBSA-N
Compound name
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.02316 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.03044 165.9
[M+Na]+ 331.01238 180.5
[M+NH4]+ 326.05698 173.3
[M+K]+ 346.98632 172.7
[M-H]- 307.01588 169.8
[M+Na-2H]- 328.99783 174.9
[M]+ 308.02261 169.5
[M]- 308.02371 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.