CID 9667447

3-(2-(3-hydroxy-2-naphthoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C25H17ClN2O4
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)N/N=C/C3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C25H17ClN2O4/c26-20-10-8-17(9-11-20)25(31)32-21-7-3-4-16(12-21)15-27-28-24(30)22-13-18-5-1-2-6-19(18)14-23(22)29/h1-15,29H,(H,28,30)/b27-15+
InChIKey
VFURFJGKJOKNRY-JFLMPSFJSA-N
Compound name
[3-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.08768 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.094956 203.8
[M+Na]+ 467.076898 210.5
[M-H]- 443.080404 214.1
[M+NH4]+ 462.121503 213.3
[M+K]+ 483.050838 204.3
[M+H-H2O]+ 427.084940 193.7
[M+HCOO]- 489.085881 222.0
[M+CH3COO]- 503.101531 233.0
[M+Na-2H]- 465.062346 207.2
[M]+ 444.08713142 207.6
[M]- 444.08822858 207.6
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.