CID 9570906

Brn 4518856

Structural Information

Molecular Formula
C19H23NO3S
SMILES
CCOC(=O)CO/N=C(\C)/C1=CC=C(S1)C2=CC=C(C=C2)C(C)C
InChI
InChI=1S/C19H23NO3S/c1-5-22-19(21)12-23-20-14(4)17-10-11-18(24-17)16-8-6-15(7-9-16)13(2)3/h6-11,13H,5,12H2,1-4H3/b20-14+
InChIKey
FDZDZTKQDRKAHE-XSFVSMFZSA-N
Compound name
ethyl 2-[(E)-1-[5-(4-propan-2-ylphenyl)thiophen-2-yl]ethylideneamino]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.13986 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.14714 183.5
[M+Na]+ 368.12908 193.3
[M+NH4]+ 363.17368 190.4
[M+K]+ 384.10302 187.0
[M-H]- 344.13258 186.8
[M+Na-2H]- 366.11453 188.6
[M]+ 345.13931 186.1
[M]- 345.14041 186.1
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.