CID 5744112

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

Structural Information

Molecular Formula
C18H21NO3S
SMILES
CCOC(=O)C(C)O/N=C(/C)\C1=CC=C(S1)C2=CC=C(C=C2)C
InChI
InChI=1S/C18H21NO3S/c1-5-21-18(20)14(4)22-19-13(3)16-10-11-17(23-16)15-8-6-12(2)7-9-15/h6-11,14H,5H2,1-4H3/b19-13-
InChIKey
ZTODSPKTRYNHNA-UYRXBGFRSA-N
Compound name
ethyl 2-[(Z)-1-[5-(4-methylphenyl)thiophen-2-yl]ethylideneamino]oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1242 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.131476 180.8
[M+Na]+ 354.113418 186.7
[M-H]- 330.116924 189.0
[M+NH4]+ 349.158023 197.3
[M+K]+ 370.087358 184.1
[M+H-H2O]+ 314.121460 173.1
[M+HCOO]- 376.122401 199.9
[M+CH3COO]- 390.138051 212.8
[M+Na-2H]- 352.098866 177.7
[M]+ 331.12365142 187.2
[M]- 331.12474858 187.2
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.