CID 9633056

1-(2-(2-chlorobenzoyl)carbohydrazonoyl)-2-naphthyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C25H15Cl3N2O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=CC=CC=C3Cl)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C25H15Cl3N2O3/c26-16-10-11-19(22(28)13-16)25(32)33-23-12-9-15-5-1-2-6-17(15)20(23)14-29-30-24(31)18-7-3-4-8-21(18)27/h1-14H,(H,30,31)/b29-14+
InChIKey
VWOQUHFMOXDIFM-IPPBACCNSA-N
Compound name
[1-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.01483 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.02211 212.7
[M+Na]+ 519.00405 221.4
[M-H]- 495.00755 222.2
[M+NH4]+ 514.04865 222.1
[M+K]+ 534.97799 214.0
[M+H-H2O]+ 479.01209 203.9
[M+HCOO]- 541.01303 221.8
[M+CH3COO]- 555.02868 220.9
[M+Na-2H]- 516.98950 213.7
[M]+ 496.01428 219.8
[M]- 496.01538 219.8
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.