CID 9570900

Ethanone, 1-(5-(4-ethylphenyl)-2-thienyl)-, o-(2-(diethylamino)ethyl)oxime

Structural Information

Molecular Formula
C20H28N2OS
SMILES
CCC1=CC=C(C=C1)C2=CC=C(S2)/C(=N/OCCN(CC)CC)/C
InChI
InChI=1S/C20H28N2OS/c1-5-17-8-10-18(11-9-17)20-13-12-19(24-20)16(4)21-23-15-14-22(6-2)7-3/h8-13H,5-7,14-15H2,1-4H3/b21-16+
InChIKey
LYKDBXLHYWOEEM-LTGZKZEYSA-N
Compound name
N,N-diethyl-2-[(E)-1-[5-(4-ethylphenyl)thiophen-2-yl]ethylideneamino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.19223 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.199506 187.1
[M+Na]+ 367.181448 192.0
[M-H]- 343.184954 196.0
[M+NH4]+ 362.226053 203.7
[M+K]+ 383.155388 188.6
[M+H-H2O]+ 327.189490 178.3
[M+HCOO]- 389.190431 208.4
[M+CH3COO]- 403.206081 222.8
[M+Na-2H]- 365.166896 184.8
[M]+ 344.19168142 193.9
[M]- 344.19277858 193.9
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.