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]+ 302.09578 170.4
[M+Na]+ 324.07772 175.8
[M-H]- 300.08122 178.4
[M+NH4]+ 319.12232 187.2
[M+K]+ 340.05166 172.0
[M+H-H2O]+ 284.08576 162.1
[M+HCOO]- 346.08670 193.4
[M+CH3COO]- 360.10235 207.8
[M+Na-2H]- 322.06317 171.7
[M]+ 301.08795 172.1
[M]- 301.08905 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.