CID 9570893

Brn 4502592

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 175.3
[M+Na]+ 340.09777 185.8
[M+NH4]+ 335.14237 182.7
[M+K]+ 356.07171 179.1
[M-H]- 316.10127 178.9
[M+Na-2H]- 338.08322 181.1
[M]+ 317.10800 178.1
[M]- 317.10910 178.1
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.