CID 9654823

4-bromo-2-(2-((2-chlorophenoxy)acetyl)carbohydrazonoyl)phenyl 3-phenylacrylate

Structural Information

Molecular Formula
C24H18BrClN2O4
SMILES
C1=CC=C(C=C1)/C=C/C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)COC3=CC=CC=C3Cl
InChI
InChI=1S/C24H18BrClN2O4/c25-19-11-12-21(32-24(30)13-10-17-6-2-1-3-7-17)18(14-19)15-27-28-23(29)16-31-22-9-5-4-8-20(22)26/h1-15H,16H2,(H,28,29)/b13-10+,27-15+
InChIKey
GKKKPRMDSYAQRK-OJKFRWHJSA-N
Compound name
[4-bromo-2-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.01385 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.02113 210.4
[M+Na]+ 535.00307 218.4
[M-H]- 511.00657 222.4
[M+NH4]+ 530.04767 220.8
[M+K]+ 550.97701 204.6
[M+H-H2O]+ 495.01111 206.0
[M+HCOO]- 557.01205 228.2
[M+CH3COO]- 571.02770 237.9
[M+Na-2H]- 532.98852 212.8
[M]+ 512.01330 233.4
[M]- 512.01440 233.4
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.