CID 9570897

Ethanone, 1-(5-(4-ethylphenyl)-2-thienyl)-, o-propyloxime

Structural Information

Molecular Formula
C17H21NOS
SMILES
CCCO/N=C(\C)/C1=CC=C(S1)C2=CC=C(C=C2)CC
InChI
InChI=1S/C17H21NOS/c1-4-12-19-18-13(3)16-10-11-17(20-16)15-8-6-14(5-2)7-9-15/h6-11H,4-5,12H2,1-3H3/b18-13+
InChIKey
XAFXLCINUCRDOJ-QGOAFFKASA-N
Compound name
(E)-1-[5-(4-ethylphenyl)thiophen-2-yl]-N-propoxyethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1344 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.141676 169.2
[M+Na]+ 310.123618 176.5
[M-H]- 286.127124 177.5
[M+NH4]+ 305.168223 188.0
[M+K]+ 326.097558 172.4
[M+H-H2O]+ 270.131660 161.8
[M+HCOO]- 332.132601 190.2
[M+CH3COO]- 346.148251 205.6
[M+Na-2H]- 308.109066 168.5
[M]+ 287.13385142 174.5
[M]- 287.13494858 174.5
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.