CID 6241097

4-(2-((4-ethylanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 2-thiophenecarboxylate

Structural Information

Molecular Formula
C22H19N3O4S
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CS3
InChI
InChI=1S/C22H19N3O4S/c1-2-15-5-9-17(10-6-15)24-20(26)21(27)25-23-14-16-7-11-18(12-8-16)29-22(28)19-4-3-13-30-19/h3-14H,2H2,1H3,(H,24,26)(H,25,27)/b23-14+
InChIKey
YDHJJSOJTUADIQ-OEAKJJBVSA-N
Compound name
[4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.10962 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11690 199.7
[M+Na]+ 444.09884 208.7
[M+NH4]+ 439.14344 205.1
[M+K]+ 460.07278 202.6
[M-H]- 420.10234 205.2
[M+Na-2H]- 442.08429 207.3
[M]+ 421.10907 202.5
[M]- 421.11017 202.5
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.