CID 45055201

3-(2-(((1-br-2-naphthyl)oxy)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C26H17BrCl2N2O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)N/N=C/C3=CC(=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C26H17BrCl2N2O4/c27-25-20-7-2-1-5-17(20)8-11-23(25)34-15-24(32)31-30-14-16-4-3-6-19(12-16)35-26(33)21-10-9-18(28)13-22(21)29/h1-14H,15H2,(H,31,32)/b30-14+
InChIKey
YECTYIQTLXPATO-AMVVHIIESA-N
Compound name
[3-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.97485 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.98213 220.6
[M+Na]+ 592.96407 230.5
[M-H]- 568.96757 233.0
[M+NH4]+ 588.00867 230.5
[M+K]+ 608.93801 217.0
[M+H-H2O]+ 552.97211 216.8
[M+HCOO]- 614.97305 232.4
[M+CH3COO]- 628.98870 248.0
[M+Na-2H]- 590.94952 223.0
[M]+ 569.97430 245.8
[M]- 569.97540 245.8
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.