CID 45055083

4-br-2-(2-(((1-br-2-naphthyl)oxy)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C26H17Br2ClN2O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)N/N=C/C3=C(C=CC(=C3)Br)OC(=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C26H17Br2ClN2O4/c27-18-10-12-22(35-26(33)20-7-3-4-8-21(20)29)17(13-18)14-30-31-24(32)15-34-23-11-9-16-5-1-2-6-19(16)25(23)28/h1-14H,15H2,(H,31,32)/b30-14+
InChIKey
AEQFVKOHTBNZPZ-AMVVHIIESA-N
Compound name
[4-bromo-2-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

613.9244 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 614.93168 212.7
[M+Na]+ 636.91362 219.7
[M-H]- 612.91712 224.1
[M+NH4]+ 631.95822 221.8
[M+K]+ 652.88756 204.3
[M+H-H2O]+ 596.92166 216.6
[M+HCOO]- 658.92260 223.9
[M+CH3COO]- 672.93825 250.4
[M+Na-2H]- 634.89907 214.8
[M]+ 613.92385 250.0
[M]- 613.92495 250.0
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.