CID 9664311

4-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C28H23N3O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=CC4=CC=CC=C43)OC
InChI
InChI=1S/C28H23N3O6/c1-35-24-15-12-20(16-25(24)36-2)28(34)37-21-13-10-18(11-14-21)17-29-31-27(33)26(32)30-23-9-5-7-19-6-3-4-8-22(19)23/h3-17H,1-2H3,(H,30,32)(H,31,33)/b29-17+
InChIKey
XOHJBBQJAFBVJY-STBIYBPSSA-N
Compound name
[4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.1587 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.16598 218.9
[M+Na]+ 520.14792 231.0
[M+NH4]+ 515.19252 223.4
[M+K]+ 536.12186 224.0
[M-H]- 496.15142 225.4
[M+Na-2H]- 518.13337 227.0
[M]+ 497.15815 222.2
[M]- 497.15925 222.2
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.