CID 9649194

477732-22-2

Structural Information

Molecular Formula
C21H16Cl2N4O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=NC=CN=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H16Cl2N4O4/c1-2-30-19-9-13(11-26-27-20(28)17-12-24-7-8-25-17)3-6-18(19)31-21(29)15-5-4-14(22)10-16(15)23/h3-12H,2H2,1H3,(H,27,28)/b26-11+
InChIKey
CBKSZJGGZIPTGX-KBKYJPHKSA-N
Compound name
[2-ethoxy-4-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.05487 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.06215 202.7
[M+Na]+ 481.04409 210.5
[M-H]- 457.04759 210.5
[M+NH4]+ 476.08869 209.5
[M+K]+ 497.01803 204.6
[M+H-H2O]+ 441.05213 191.7
[M+HCOO]- 503.05307 216.4
[M+CH3COO]- 517.06872 234.4
[M+Na-2H]- 479.02954 205.1
[M]+ 458.05432 210.4
[M]- 458.05542 210.4
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.