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 183.7
[M+Na]+ 376.12676 187.8
[M-H]- 352.13026 191.4
[M+NH4]+ 371.17136 195.8
[M+K]+ 392.10070 185.6
[M+H-H2O]+ 336.13480 174.0
[M+HCOO]- 398.13574 209.5
[M+CH3COO]- 412.15139 221.6
[M+Na-2H]- 374.11221 185.8
[M]+ 353.13699 185.5
[M]- 353.13809 185.5
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.