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]+ 445.09496 203.8
[M+Na]+ 467.07690 210.5
[M-H]- 443.08040 214.1
[M+NH4]+ 462.12150 213.3
[M+K]+ 483.05084 204.3
[M+H-H2O]+ 427.08494 193.7
[M+HCOO]- 489.08588 222.0
[M+CH3COO]- 503.10153 233.0
[M+Na-2H]- 465.06235 207.2
[M]+ 444.08713 207.6
[M]- 444.08823 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.