CID 9635042

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

Structural Information

Molecular Formula
C28H24N2O6
SMILES
COC1=CC=C(C=C1)C(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C28H24N2O6/c1-33-21-12-8-19(9-13-21)27(31)30-29-17-23-22-7-5-4-6-18(22)10-14-24(23)36-28(32)20-11-15-25(34-2)26(16-20)35-3/h4-17H,1-3H3,(H,30,31)/b29-17+
InChIKey
TZGZBSNJJGDJFG-STBIYBPSSA-N
Compound name
[1-[(E)-[(4-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 216.7
[M+Na]+ 507.15264 221.6
[M-H]- 483.15614 228.1
[M+NH4]+ 502.19724 224.0
[M+K]+ 523.12658 218.9
[M+H-H2O]+ 467.16068 204.2
[M+HCOO]- 529.16162 239.7
[M+CH3COO]- 543.17727 246.1
[M+Na-2H]- 505.13809 218.8
[M]+ 484.16287 223.2
[M]- 484.16397 223.2
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.