CID 51060405

1-(2-(((3-chlorobenzoyl)amino)acetyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C29H24ClN3O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)CNC(=O)C4=CC(=CC=C4)Cl)OC
InChI
InChI=1S/C29H24ClN3O6/c1-37-25-13-11-20(15-26(25)38-2)29(36)39-24-12-10-18-6-3-4-9-22(18)23(24)16-32-33-27(34)17-31-28(35)19-7-5-8-21(30)14-19/h3-16H,17H2,1-2H3,(H,31,35)(H,33,34)/b32-16+
InChIKey
ZKUCKFRMOFBBJZ-KPGMTVGESA-N
Compound name
[1-[(E)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.1354 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.14268 228.7
[M+Na]+ 568.12462 233.1
[M-H]- 544.12812 239.8
[M+NH4]+ 563.16922 234.2
[M+K]+ 584.09856 229.4
[M+H-H2O]+ 528.13266 217.2
[M+HCOO]- 590.13360 247.4
[M+CH3COO]- 604.14925 257.1
[M+Na-2H]- 566.11007 229.8
[M]+ 545.13485 236.7
[M]- 545.13595 236.7
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.