CID 9626656

4-(2-(((3,4-dimethoxybenzoyl)amino)acetyl)carbohydrazonoyl)phenyl 1-naphthoate

Structural Information

Molecular Formula
C29H25N3O6
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43)OC
InChI
InChI=1S/C29H25N3O6/c1-36-25-15-12-21(16-26(25)37-2)28(34)30-18-27(33)32-31-17-19-10-13-22(14-11-19)38-29(35)24-9-5-7-20-6-3-4-8-23(20)24/h3-17H,18H2,1-2H3,(H,30,34)(H,32,33)/b31-17+
InChIKey
LSNYTNWVFVAAGO-KBVAKVRCSA-N
Compound name
[4-[(E)-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.17435 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.181626 221.5
[M+Na]+ 534.163568 224.1
[M-H]- 510.167074 232.3
[M+NH4]+ 529.208173 226.9
[M+K]+ 550.137508 221.6
[M+H-H2O]+ 494.171610 208.8
[M+HCOO]- 556.172551 244.4
[M+CH3COO]- 570.188201 252.6
[M+Na-2H]- 532.149016 223.7
[M]+ 511.17380142 226.0
[M]- 511.17489858 226.0
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.