CID 51060237

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

Structural Information

Molecular Formula
C28H24N2O4
SMILES
CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(C)OC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C28H24N2O4/c1-19-6-5-9-24(16-19)28(32)34-25-13-10-21(11-14-25)18-29-30-27(31)20(2)33-26-15-12-22-7-3-4-8-23(22)17-26/h3-18,20H,1-2H3,(H,30,31)/b29-18+
InChIKey
WNADMHLOBPVSAB-RDRPBHBLSA-N
Compound name
[4-[(E)-(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.1736 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.18088 210.7
[M+Na]+ 475.16282 224.7
[M+NH4]+ 470.20742 217.2
[M+K]+ 491.13676 216.0
[M-H]- 451.16632 218.2
[M+Na-2H]- 473.14827 220.3
[M]+ 452.17305 214.8
[M]- 452.17415 214.8
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.