CID 9633778

1-(2-((1-naphthoylamino)ac)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C33H27N3O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)CNC(=O)C4=CC=CC5=CC=CC=C54)OC
InChI
InChI=1S/C33H27N3O6/c1-40-29-17-15-23(18-30(29)41-2)33(39)42-28-16-14-22-9-4-6-12-25(22)27(28)19-35-36-31(37)20-34-32(38)26-13-7-10-21-8-3-5-11-24(21)26/h3-19H,20H2,1-2H3,(H,34,38)(H,36,37)/b35-19+
InChIKey
ZDWDXKYOOXPMQO-XZYGTATASA-N
Compound name
[1-[(E)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

561.19 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.19728 234.1
[M+Na]+ 584.17922 237.3
[M-H]- 560.18272 245.5
[M+NH4]+ 579.22382 238.1
[M+K]+ 600.15316 234.2
[M+H-H2O]+ 544.18726 220.3
[M+HCOO]- 606.18820 255.8
[M+CH3COO]- 620.20385 262.8
[M+Na-2H]- 582.16467 237.5
[M]+ 561.18945 239.8
[M]- 561.19055 239.8
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.