CID 9628121

4-(2-((2,3-dichloroanilino)(oxo)ac)carbohydrazonoyl)-2-meo-ph 3-phenylacrylate

Structural Information

Molecular Formula
C25H19Cl2N3O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=C(C(=CC=C2)Cl)Cl)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C25H19Cl2N3O5/c1-34-21-14-17(10-12-20(21)35-22(31)13-11-16-6-3-2-4-7-16)15-28-30-25(33)24(32)29-19-9-5-8-18(26)23(19)27/h2-15H,1H3,(H,29,32)(H,30,33)/b13-11+,28-15+
InChIKey
URHRKYUBMYBYCO-LCCJIDFJSA-N
Compound name
[4-[(E)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.0702 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.07748 219.4
[M+Na]+ 534.05942 225.2
[M-H]- 510.06292 229.5
[M+NH4]+ 529.10402 226.5
[M+K]+ 550.03336 219.4
[M+H-H2O]+ 494.06746 210.0
[M+HCOO]- 556.06840 235.4
[M+CH3COO]- 570.08405 245.7
[M+Na-2H]- 532.04487 218.9
[M]+ 511.06965 226.6
[M]- 511.07075 226.6
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.