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 201.4
[M+Na]+ 444.09884 205.3
[M-H]- 420.10234 212.3
[M+NH4]+ 439.14344 212.7
[M+K]+ 460.07278 201.1
[M+H-H2O]+ 404.10688 191.7
[M+HCOO]- 466.10782 223.1
[M+CH3COO]- 480.12347 229.6
[M+Na-2H]- 442.08429 200.8
[M]+ 421.10907 204.9
[M]- 421.11017 204.9
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.