CID 45055306

3-(2-(2-(1-naphthyloxy)propanoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C27H20Cl2N2O4
SMILES
CC(C(=O)N/N=C/C1=CC(=CC=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)OC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H20Cl2N2O4/c1-17(34-25-11-5-8-19-7-2-3-10-22(19)25)26(32)31-30-16-18-6-4-9-21(14-18)35-27(33)23-13-12-20(28)15-24(23)29/h2-17H,1H3,(H,31,32)/b30-16+
InChIKey
ZYLLEOIZIQZWIU-OKCVXOCRSA-N
Compound name
[3-[(E)-(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.08002 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.08730 217.7
[M+Na]+ 529.06924 224.1
[M-H]- 505.07274 228.1
[M+NH4]+ 524.11384 225.9
[M+K]+ 545.04318 217.9
[M+H-H2O]+ 489.07728 207.8
[M+HCOO]- 551.07822 230.8
[M+CH3COO]- 565.09387 245.0
[M+Na-2H]- 527.05469 218.6
[M]+ 506.07947 225.2
[M]- 506.08057 225.2
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.