CID 9633122

4-bromo-2-(2-decanoylcarbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C24H28BrClN2O3
SMILES
CCCCCCCCCC(=O)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C24H28BrClN2O3/c1-2-3-4-5-6-7-8-13-23(29)28-27-17-18-16-19(25)14-15-22(18)31-24(30)20-11-9-10-12-21(20)26/h9-12,14-17H,2-8,13H2,1H3,(H,28,29)/b27-17+
InChIKey
WFEIVXMNSCAIGP-WPWMEQJKSA-N
Compound name
[4-bromo-2-[(E)-(decanoylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.09717 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.10445 214.1
[M+Na]+ 529.08639 221.3
[M-H]- 505.08989 222.8
[M+NH4]+ 524.13099 225.6
[M+K]+ 545.06033 206.6
[M+H-H2O]+ 489.09443 210.2
[M+HCOO]- 551.09537 230.5
[M+CH3COO]- 565.11102 240.8
[M+Na-2H]- 527.07184 214.0
[M]+ 506.09662 239.0
[M]- 506.09772 239.0
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.