CID 5744113

Propanoic acid, 2-(((1-(5-(4-ethylphenyl)-2-thienyl)ethylidene)amino)oxy)-, ethyl ester

Structural Information

Molecular Formula
C19H23NO3S
SMILES
CCC1=CC=C(C=C1)C2=CC=C(S2)/C(=N\OC(C)C(=O)OCC)/C
InChI
InChI=1S/C19H23NO3S/c1-5-15-7-9-16(10-8-15)18-12-11-17(24-18)13(3)20-23-14(4)19(21)22-6-2/h7-12,14H,5-6H2,1-4H3/b20-13-
InChIKey
LSZYJCGOCAEVHQ-MOSHPQCFSA-N
Compound name
ethyl 2-[(Z)-1-[5-(4-ethylphenyl)thiophen-2-yl]ethylideneamino]oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.13986 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.147136 185.3
[M+Na]+ 368.129078 190.8
[M-H]- 344.132584 193.3
[M+NH4]+ 363.173683 201.2
[M+K]+ 384.103018 187.9
[M+H-H2O]+ 328.137120 177.5
[M+HCOO]- 390.138061 204.0
[M+CH3COO]- 404.153711 215.8
[M+Na-2H]- 366.114526 181.7
[M]+ 345.13931142 192.1
[M]- 345.14040858 192.1
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.