CID 9570893

Acetic acid, (((1-(5-(4-methylphenyl)-2-thienyl)ethylidene)amino)oxy)-, ethyl ester

Structural Information

Molecular Formula
C17H19NO3S
SMILES
CCOC(=O)CO/N=C(\C)/C1=CC=C(S1)C2=CC=C(C=C2)C
InChI
InChI=1S/C17H19NO3S/c1-4-20-17(19)11-21-18-13(3)15-9-10-16(22-15)14-7-5-12(2)6-8-14/h5-10H,4,11H2,1-3H3/b18-13+
InChIKey
SLNOATZSZLYIDL-QGOAFFKASA-N
Compound name
ethyl 2-[(E)-1-[5-(4-methylphenyl)thiophen-2-yl]ethylideneamino]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.10855 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.115826 176.1
[M+Na]+ 340.097768 182.8
[M-H]- 316.101274 184.4
[M+NH4]+ 335.142373 193.3
[M+K]+ 356.071708 179.9
[M+H-H2O]+ 300.105810 168.5
[M+HCOO]- 362.106751 196.6
[M+CH3COO]- 376.122401 209.0
[M+Na-2H]- 338.083216 174.6
[M]+ 317.10800142 182.8
[M]- 317.10909858 182.8
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.