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 211.0
[M+Na]+ 493.13702 215.6
[M-H]- 469.14052 220.0
[M+NH4]+ 488.18162 217.7
[M+K]+ 509.11096 211.7
[M+H-H2O]+ 453.14506 199.6
[M+HCOO]- 515.14600 231.5
[M+CH3COO]- 529.16165 239.2
[M+Na-2H]- 491.12247 213.1
[M]+ 470.14725 213.9
[M]- 470.14835 213.9
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.