CID 45054834

3-(2-(3-pyridinylcarbonyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C20H14ClN3O3
SMILES
C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)Cl)/C=N/NC(=O)C3=CN=CC=C3
InChI
InChI=1S/C20H14ClN3O3/c21-17-8-6-15(7-9-17)20(26)27-18-5-1-3-14(11-18)12-23-24-19(25)16-4-2-10-22-13-16/h1-13H,(H,24,25)/b23-12+
InChIKey
CWLJCIJKWSJTIX-FSJBWODESA-N
Compound name
[3-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.07236 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.07964 187.4
[M+Na]+ 402.06158 202.4
[M+NH4]+ 397.10618 194.2
[M+K]+ 418.03552 193.9
[M-H]- 378.06508 193.8
[M+Na-2H]- 400.04703 198.4
[M]+ 379.07181 191.6
[M]- 379.07291 191.6
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.