CID 45055294

3-(2-(2-(2-naphthyloxy)propanoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C28H24N2O5
SMILES
CC(C(=O)N/N=C/C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)OC)OC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C28H24N2O5/c1-19(34-26-15-10-21-7-3-4-8-23(21)17-26)27(31)30-29-18-20-6-5-9-25(16-20)35-28(32)22-11-13-24(33-2)14-12-22/h3-19H,1-2H3,(H,30,31)/b29-18+
InChIKey
ZOZVMLPHVPAWLU-RDRPBHBLSA-N
Compound name
[3-[(E)-(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.16852 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.17580 213.0
[M+Na]+ 491.15774 216.1
[M-H]- 467.16124 223.7
[M+NH4]+ 486.20234 220.5
[M+K]+ 507.13168 212.9
[M+H-H2O]+ 451.16578 200.8
[M+HCOO]- 513.16672 235.0
[M+CH3COO]- 527.18237 242.1
[M+Na-2H]- 489.14319 215.3
[M]+ 468.16797 216.8
[M]- 468.16907 216.8
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.