CID 9680823

1-(2-benzoylcarbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C27H22N2O5
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC=CC=C4)OC
InChI
InChI=1S/C27H22N2O5/c1-32-24-15-13-20(16-25(24)33-2)27(31)34-23-14-12-18-8-6-7-11-21(18)22(23)17-28-29-26(30)19-9-4-3-5-10-19/h3-17H,1-2H3,(H,29,30)/b28-17+
InChIKey
OVMGGPBIELMNDZ-OGLMXYFKSA-N
Compound name
[1-[(E)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.15286 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.16014 209.3
[M+Na]+ 477.14208 214.2
[M-H]- 453.14558 220.5
[M+NH4]+ 472.18668 217.7
[M+K]+ 493.11602 210.6
[M+H-H2O]+ 437.15012 197.1
[M+HCOO]- 499.15106 232.6
[M+CH3COO]- 513.16671 239.7
[M+Na-2H]- 475.12753 212.4
[M]+ 454.15231 213.8
[M]- 454.15341 213.8
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.