CID 9635091

3-(2-isonicotinoylcarbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C20H13Cl2N3O3
SMILES
C1=CC(=CC(=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)/C=N/NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C20H13Cl2N3O3/c21-15-4-5-17(18(22)11-15)20(27)28-16-3-1-2-13(10-16)12-24-25-19(26)14-6-8-23-9-7-14/h1-12H,(H,25,26)/b24-12+
InChIKey
CKRXVGYZXOTULE-WYMPLXKRSA-N
Compound name
[3-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.0334 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.04068 193.0
[M+Na]+ 436.02262 200.9
[M-H]- 412.02612 201.9
[M+NH4]+ 431.06722 203.0
[M+K]+ 451.99656 194.3
[M+H-H2O]+ 396.03066 183.3
[M+HCOO]- 458.03160 208.3
[M+CH3COO]- 472.04725 225.6
[M+Na-2H]- 434.00807 196.2
[M]+ 413.03285 198.3
[M]- 413.03395 198.3
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.