CID 9664111

4-(2-((4-cl-anilino)(oxo)acetyl)carbohydrazonoyl)-2-meo-phenyl 3-phenylacrylate

Structural Information

Molecular Formula
C25H20ClN3O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=C(C=C2)Cl)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C25H20ClN3O5/c1-33-22-15-18(7-13-21(22)34-23(30)14-8-17-5-3-2-4-6-17)16-27-29-25(32)24(31)28-20-11-9-19(26)10-12-20/h2-16H,1H3,(H,28,31)(H,29,32)/b14-8+,27-16+
InChIKey
AZNSBGZOOOOSTL-PHGNHDHESA-N
Compound name
[4-[(E)-[[2-(4-chloroanilino)-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

477.10916 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.11644 213.7
[M+Na]+ 500.09838 218.0
[M-H]- 476.10188 224.1
[M+NH4]+ 495.14298 221.1
[M+K]+ 516.07232 213.1
[M+H-H2O]+ 460.10642 203.0
[M+HCOO]- 522.10736 234.5
[M+CH3COO]- 536.12301 241.0
[M+Na-2H]- 498.08383 214.5
[M]+ 477.10861 218.6
[M]- 477.10971 218.6
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.