CID 51060270

4-bromo-2-(2-((4-ethylphenoxy)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C24H20BrClN2O4
SMILES
CCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C24H20BrClN2O4/c1-2-16-7-10-19(11-8-16)31-15-23(29)28-27-14-17-13-18(25)9-12-22(17)32-24(30)20-5-3-4-6-21(20)26/h3-14H,2,15H2,1H3,(H,28,29)/b27-14+
InChIKey
IYWCVZMDPUGFKZ-MZJWZYIUSA-N
Compound name
[4-bromo-2-[(E)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.0295 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.03678 211.4
[M+Na]+ 537.01872 219.9
[M-H]- 513.02222 223.7
[M+NH4]+ 532.06332 222.0
[M+K]+ 552.99266 206.8
[M+H-H2O]+ 497.02676 207.0
[M+HCOO]- 559.02770 229.0
[M+CH3COO]- 573.04335 240.3
[M+Na-2H]- 535.00417 213.1
[M]+ 514.02895 235.5
[M]- 514.03005 235.5
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.