CID 51060383

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

Structural Information

Molecular Formula
C27H18Cl3N3O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)CNC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C27H18Cl3N3O4/c28-18-8-5-17(6-9-18)26(35)31-15-25(34)33-32-14-22-20-4-2-1-3-16(20)7-12-24(22)37-27(36)21-11-10-19(29)13-23(21)30/h1-14H,15H2,(H,31,35)(H,33,34)/b32-14+
InChIKey
FKJYEPHDZGXBJO-HIWRWHBISA-N
Compound name
[1-[(E)-[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.0363 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.04358 225.0
[M+Na]+ 576.02552 231.8
[M-H]- 552.02902 234.4
[M+NH4]+ 571.07012 231.7
[M+K]+ 591.99946 225.4
[M+H-H2O]+ 536.03356 216.2
[M+HCOO]- 598.03450 234.2
[M+CH3COO]- 612.05015 253.4
[M+Na-2H]- 574.01097 225.1
[M]+ 553.03575 232.7
[M]- 553.03685 232.7
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.