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]+ 318.11583 176.1
[M+Na]+ 340.09777 182.8
[M-H]- 316.10127 184.4
[M+NH4]+ 335.14237 193.3
[M+K]+ 356.07171 179.9
[M+H-H2O]+ 300.10581 168.5
[M+HCOO]- 362.10675 196.6
[M+CH3COO]- 376.12240 209.0
[M+Na-2H]- 338.08322 174.6
[M]+ 317.10800 182.8
[M]- 317.10910 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.