CID 5941349

N-(4-ethylphenyl)-2-oxo-2-(2-(2-thienylmethylene)hydrazino)acetamide

Structural Information

Molecular Formula
C15H15N3O2S
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=CS2
InChI
InChI=1S/C15H15N3O2S/c1-2-11-5-7-12(8-6-11)17-14(19)15(20)18-16-10-13-4-3-9-21-13/h3-10H,2H2,1H3,(H,17,19)(H,18,20)/b16-10+
InChIKey
YWLQPNDOBNOBNS-MHWRWJLKSA-N
Compound name
N-(4-ethylphenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0885 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.095776 170.4
[M+Na]+ 324.077718 175.8
[M-H]- 300.081224 178.4
[M+NH4]+ 319.122323 187.2
[M+K]+ 340.051658 172.0
[M+H-H2O]+ 284.085760 162.1
[M+HCOO]- 346.086701 193.4
[M+CH3COO]- 360.102351 207.8
[M+Na-2H]- 322.063166 171.7
[M]+ 301.08795142 172.1
[M]- 301.08904858 172.1
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.

Patent stripe

No patent data available for this compound.