CID 9680822

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

Structural Information

Molecular Formula
C26H21N3O5
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC=NC=C4)OC
InChI
InChI=1S/C26H21N3O5/c1-32-23-10-8-19(15-24(23)33-2)26(31)34-22-9-7-17-5-3-4-6-20(17)21(22)16-28-29-25(30)18-11-13-27-14-12-18/h3-16H,1-2H3,(H,29,30)/b28-16+
InChIKey
LZDLLLWAORZBSO-LQKURTRISA-N
Compound name
[1-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.14813 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.15541 208.6
[M+Na]+ 478.13735 213.9
[M-H]- 454.14085 218.7
[M+NH4]+ 473.18195 215.7
[M+K]+ 494.11129 210.1
[M+H-H2O]+ 438.14539 195.8
[M+HCOO]- 500.14633 231.0
[M+CH3COO]- 514.16198 239.4
[M+Na-2H]- 476.12280 212.6
[M]+ 455.14758 213.3
[M]- 455.14868 213.3
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.