CID 9693500

Methyl 4-(2-((4-ethylanilino)(oxo)acetyl)carbohydrazonoyl)benzoate

Structural Information

Molecular Formula
C19H19N3O4
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C19H19N3O4/c1-3-13-6-10-16(11-7-13)21-17(23)18(24)22-20-12-14-4-8-15(9-5-14)19(25)26-2/h4-12H,3H2,1-2H3,(H,21,23)(H,22,24)/b20-12+
InChIKey
PUUZXWFYGMPURC-UDWIEESQSA-N
Compound name
methyl 4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.13754 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14482 184.3
[M+Na]+ 376.12676 193.8
[M+NH4]+ 371.17136 189.0
[M+K]+ 392.10070 188.4
[M-H]- 352.13026 187.8
[M+Na-2H]- 374.11221 190.4
[M]+ 353.13699 186.1
[M]- 353.13809 186.1
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.

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No patent data available for this compound.