CID 51060435

1-(2-(((1-bromo-2-naphthyl)oxy)acetyl)carbohydrazonoyl)-2-naphthyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C30H19BrCl2N2O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)COC3=C(C4=CC=CC=C4C=C3)Br)OC(=O)C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C30H19BrCl2N2O4/c31-29-22-8-4-2-6-19(22)10-14-27(29)38-17-28(36)35-34-16-24-21-7-3-1-5-18(21)9-13-26(24)39-30(37)23-12-11-20(32)15-25(23)33/h1-16H,17H2,(H,35,36)/b34-16+
InChIKey
SNMBDWQWRDFBSD-AABVJFSESA-N
Compound name
[1-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

619.99054 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.99782 234.4
[M+Na]+ 642.97976 244.7
[M-H]- 618.98326 247.3
[M+NH4]+ 638.02436 243.1
[M+K]+ 658.95370 231.6
[M+H-H2O]+ 602.98780 229.7
[M+HCOO]- 664.98874 245.4
[M+CH3COO]- 679.00439 243.2
[M+Na-2H]- 640.96521 237.6
[M]+ 619.98999 260.9
[M]- 619.99109 260.9
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.