CID 51060497

4-(2-((4-methoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 1-naphthoate

Structural Information

Molecular Formula
C27H21N3O5
SMILES
COC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H21N3O5/c1-34-21-15-11-20(12-16-21)29-25(31)26(32)30-28-17-18-9-13-22(14-10-18)35-27(33)24-8-4-6-19-5-2-3-7-23(19)24/h2-17H,1H3,(H,29,31)(H,30,32)/b28-17+
InChIKey
OHTJEPVEXIXUHE-OGLMXYFKSA-N
Compound name
[4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.14813 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.15541 211.9
[M+Na]+ 490.13735 224.4
[M+NH4]+ 485.18195 217.1
[M+K]+ 506.11129 216.8
[M-H]- 466.14085 218.9
[M+Na-2H]- 488.12280 220.9
[M]+ 467.14758 215.3
[M]- 467.14868 215.3
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.