CID 9637440

1-(2-(2,4-dihydroxybenzoyl)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C27H22N2O6
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=C(C=C(C=C4)O)O
InChI
InChI=1S/C27H22N2O6/c1-2-34-20-11-7-18(8-12-20)27(33)35-25-14-9-17-5-3-4-6-21(17)23(25)16-28-29-26(32)22-13-10-19(30)15-24(22)31/h3-16,30-31H,2H2,1H3,(H,29,32)/b28-16+
InChIKey
OSKOHUYRFZUGTK-LQKURTRISA-N
Compound name
[1-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.1478 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.15508 213.6
[M+Na]+ 493.13702 226.8
[M+NH4]+ 488.18162 218.5
[M+K]+ 509.11096 219.6
[M-H]- 469.14052 219.5
[M+Na-2H]- 491.12247 221.2
[M]+ 470.14725 216.9
[M]- 470.14835 216.9
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.