CID 9650081

2-ethoxy-4-(2-(3-ho-2-naphthoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C27H20Cl2N2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3C=C2O)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C27H20Cl2N2O5/c1-2-35-25-11-16(7-10-24(25)36-27(34)20-9-8-19(28)14-22(20)29)15-30-31-26(33)21-12-17-5-3-4-6-18(17)13-23(21)32/h3-15,32H,2H2,1H3,(H,31,33)/b30-15+
InChIKey
UOVJADRXAUDJKG-FJEPWZHXSA-N
Compound name
[2-ethoxy-4-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.07495 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.08223 220.6
[M+Na]+ 545.06417 228.3
[M-H]- 521.06767 230.5
[M+NH4]+ 540.10877 228.1
[M+K]+ 561.03811 222.2
[M+H-H2O]+ 505.07221 211.1
[M+HCOO]- 567.07315 233.4
[M+CH3COO]- 581.08880 246.9
[M+Na-2H]- 543.04962 221.1
[M]+ 522.07440 229.1
[M]- 522.07550 229.1
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.