CID 9570899

Brn 4448812

Structural Information

Molecular Formula
C17H19NOS
SMILES
CCC1=CC=C(C=C1)C2=CC=C(S2)/C(=N/OCC=C)/C
InChI
InChI=1S/C17H19NOS/c1-4-12-19-18-13(3)16-10-11-17(20-16)15-8-6-14(5-2)7-9-15/h4,6-11H,1,5,12H2,2-3H3/b18-13+
InChIKey
MJHQBYKOIMCZJR-QGOAFFKASA-N
Compound name
(E)-1-[5-(4-ethylphenyl)thiophen-2-yl]-N-prop-2-enoxyethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11874 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12602 168.9
[M+Na]+ 308.10796 180.9
[M+NH4]+ 303.15256 177.7
[M+K]+ 324.08190 172.3
[M-H]- 284.11146 173.8
[M+Na-2H]- 306.09341 176.0
[M]+ 285.11819 172.5
[M]- 285.11929 172.5
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.