CID 9630223

4-bromo-2-(2-(1-naphthylacetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C26H18BrClN2O3
SMILES
C1=CC=C2C(=C1)C=CC=C2CC(=O)N/N=C/C3=C(C=CC(=C3)Br)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H18BrClN2O3/c27-21-10-13-24(33-26(32)18-8-11-22(28)12-9-18)20(14-21)16-29-30-25(31)15-19-6-3-5-17-4-1-2-7-23(17)19/h1-14,16H,15H2,(H,30,31)/b29-16+
InChIKey
FKVCDCPKXYBUPM-MUFRIFMGSA-N
Compound name
[4-bromo-2-[(E)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.0189 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.02618 215.3
[M+Na]+ 543.00812 224.0
[M-H]- 519.01162 228.0
[M+NH4]+ 538.05272 226.3
[M+K]+ 558.98206 210.3
[M+H-H2O]+ 503.01616 210.9
[M+HCOO]- 565.01710 231.6
[M+CH3COO]- 579.03275 241.7
[M+Na-2H]- 540.99357 218.6
[M]+ 520.01835 237.4
[M]- 520.01945 237.4
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.