CID 9617873

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

Structural Information

Molecular Formula
C28H24N2O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC=CC=C4OC)OC
InChI
InChI=1S/C28H24N2O6/c1-33-23-11-7-6-10-21(23)27(31)30-29-17-22-20-9-5-4-8-18(20)12-14-24(22)36-28(32)19-13-15-25(34-2)26(16-19)35-3/h4-17H,1-3H3,(H,30,31)/b29-17+
InChIKey
WXTKEHHEFKQWBH-STBIYBPSSA-N
Compound name
[1-[(E)-[(2-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.16342 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.17070 217.2
[M+Na]+ 507.15264 231.3
[M+NH4]+ 502.19724 222.6
[M+K]+ 523.12658 223.3
[M-H]- 483.15614 224.1
[M+Na-2H]- 505.13809 225.8
[M]+ 484.16287 221.1
[M]- 484.16397 221.1
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.