CID 9630377

4-(2-((4-ethylanilino)(oxo)ac)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

Molecular Formula
C27H25N3O5
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C27H25N3O5/c1-3-19-9-13-22(14-10-19)29-26(32)27(33)30-28-18-21-11-15-23(24(17-21)34-2)35-25(31)16-12-20-7-5-4-6-8-20/h4-18H,3H2,1-2H3,(H,29,32)(H,30,33)/b16-12+,28-18+
InChIKey
MCDGXFNFCKJBPI-ZZTXFNBYSA-N
Compound name
[4-[(E)-[[2-(4-ethylanilino)-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

471.1794 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.18668 215.4
[M+Na]+ 494.16862 218.0
[M-H]- 470.17212 225.5
[M+NH4]+ 489.21322 222.0
[M+K]+ 510.14256 214.2
[M+H-H2O]+ 454.17666 203.4
[M+HCOO]- 516.17760 239.8
[M+CH3COO]- 530.19325 243.5
[M+Na-2H]- 492.15407 215.6
[M]+ 471.17885 218.2
[M]- 471.17995 218.2
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.