CID 9634389

1-(2-((2-naphthyloxy)acetyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C32H26N2O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)COC4=CC5=CC=CC=C5C=C4)OC
InChI
InChI=1S/C32H26N2O6/c1-37-29-16-13-24(18-30(29)38-2)32(36)40-28-15-12-22-8-5-6-10-26(22)27(28)19-33-34-31(35)20-39-25-14-11-21-7-3-4-9-23(21)17-25/h3-19H,20H2,1-2H3,(H,34,35)/b33-19+
InChIKey
LLUYGJRNMITEQM-HNSNBQBZSA-N
Compound name
[1-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.1791 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.18638 229.4
[M+Na]+ 557.16832 234.1
[M-H]- 533.17182 241.1
[M+NH4]+ 552.21292 235.1
[M+K]+ 573.14226 230.6
[M+H-H2O]+ 517.17636 215.5
[M+HCOO]- 579.17730 251.4
[M+CH3COO]- 593.19295 254.9
[M+Na-2H]- 555.15377 233.3
[M]+ 534.17855 236.7
[M]- 534.17965 236.7
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.