CID 51060174

1-(2-(2-(2-naphthyloxy)propanoyl)carbohydrazonoyl)-2-naphthyl 3,4-di-meo-benzoate

Structural Information

Molecular Formula
C33H28N2O6
SMILES
CC(C(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC(=C(C=C3)OC)OC)OC4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C33H28N2O6/c1-21(40-26-15-12-22-8-4-5-10-24(22)18-26)32(36)35-34-20-28-27-11-7-6-9-23(27)13-16-29(28)41-33(37)25-14-17-30(38-2)31(19-25)39-3/h4-21H,1-3H3,(H,35,36)/b34-20+
InChIKey
BVBUWPIFNOJJBG-QXUDOOCXSA-N
Compound name
[1-[(E)-(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.19476 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.20204 233.6
[M+Na]+ 571.18398 237.4
[M-H]- 547.18748 245.1
[M+NH4]+ 566.22858 238.6
[M+K]+ 587.15792 234.5
[M+H-H2O]+ 531.19202 219.8
[M+HCOO]- 593.19296 254.2
[M+CH3COO]- 607.20861 258.6
[M+Na-2H]- 569.16943 236.0
[M]+ 548.19421 240.6
[M]- 548.19531 240.6
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.