CID 9632077

1-(2-(4-hydroxybenzoyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C27H22N2O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC=C(C=C4)O)OC
InChI
InChI=1S/C27H22N2O6/c1-33-24-14-10-19(15-25(24)34-2)27(32)35-23-13-9-17-5-3-4-6-21(17)22(23)16-28-29-26(31)18-7-11-20(30)12-8-18/h3-16,30H,1-2H3,(H,29,31)/b28-16+
InChIKey
JGIZSGCVBGGOAX-LQKURTRISA-N
Compound name
[1-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.1478 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.15508 211.7
[M+Na]+ 493.13702 216.6
[M-H]- 469.14052 221.9
[M+NH4]+ 488.18162 218.9
[M+K]+ 509.11096 213.4
[M+H-H2O]+ 453.14506 199.8
[M+HCOO]- 515.14600 233.6
[M+CH3COO]- 529.16165 241.2
[M+Na-2H]- 491.12247 214.0
[M]+ 470.14725 216.2
[M]- 470.14835 216.2
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.