CID 9564506

4-(2-isonicotinoylcarbohydrazonoyl)-2-methoxyphenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C21H16ClN3O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=NC=C2)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C21H16ClN3O4/c1-28-19-12-14(13-24-25-20(26)15-8-10-23-11-9-15)6-7-18(19)29-21(27)16-4-2-3-5-17(16)22/h2-13H,1H3,(H,25,26)/b24-13+
InChIKey
GQJIHHFGCNRSJK-ZMOGYAJESA-N
Compound name
[2-methoxy-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

409.08295 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.09023 194.5
[M+Na]+ 432.07217 201.3
[M-H]- 408.07567 204.1
[M+NH4]+ 427.11677 203.8
[M+K]+ 448.04611 196.3
[M+H-H2O]+ 392.08021 183.6
[M+HCOO]- 454.08115 214.7
[M+CH3COO]- 468.09680 226.8
[M+Na-2H]- 430.05762 198.0
[M]+ 409.08240 199.9
[M]- 409.08350 199.9
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

No patent data available for this compound.