CID 9636615

1-(2-(4-(benzyloxy)benzoyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C34H28N2O6
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)OCC5=CC=CC=C5)OC
InChI
InChI=1S/C34H28N2O6/c1-39-31-19-15-26(20-32(31)40-2)34(38)42-30-18-14-24-10-6-7-11-28(24)29(30)21-35-36-33(37)25-12-16-27(17-13-25)41-22-23-8-4-3-5-9-23/h3-21H,22H2,1-2H3,(H,36,37)/b35-21+
InChIKey
AXTQAAQVYDFXPQ-XICOUIIWSA-N
Compound name
[1-[(E)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.19476 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.20204 237.4
[M+Na]+ 583.18398 240.2
[M-H]- 559.18748 250.6
[M+NH4]+ 578.22858 240.4
[M+K]+ 599.15792 236.6
[M+H-H2O]+ 543.19202 222.5
[M+HCOO]- 605.19296 258.8
[M+CH3COO]- 619.20861 259.1
[M+Na-2H]- 581.16943 238.6
[M]+ 560.19421 242.4
[M]- 560.19531 242.4
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.