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]+ 288.14168 169.2
[M+Na]+ 310.12362 176.5
[M-H]- 286.12712 177.5
[M+NH4]+ 305.16822 188.0
[M+K]+ 326.09756 172.4
[M+H-H2O]+ 270.13166 161.8
[M+HCOO]- 332.13260 190.2
[M+CH3COO]- 346.14825 205.6
[M+Na-2H]- 308.10907 168.5
[M]+ 287.13385 174.5
[M]- 287.13495 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.