CID 9570887

Ethanone, 1-(5-(4-methylphenyl)-2-thienyl)-, o-ethyloxime

Structural Information

Molecular Formula
C15H17NOS
SMILES
CCO/N=C(\C)/C1=CC=C(S1)C2=CC=C(C=C2)C
InChI
InChI=1S/C15H17NOS/c1-4-17-16-12(3)14-9-10-15(18-14)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3/b16-12+
InChIKey
QDKNTALWCVMTIS-FOWTUZBSSA-N
Compound name
(E)-N-ethoxy-1-[5-(4-methylphenyl)thiophen-2-yl]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1031 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11038 160.2
[M+Na]+ 282.09232 168.3
[M-H]- 258.09582 168.9
[M+NH4]+ 277.13692 180.2
[M+K]+ 298.06626 164.8
[M+H-H2O]+ 242.10036 153.2
[M+HCOO]- 304.10130 181.9
[M+CH3COO]- 318.11695 199.7
[M+Na-2H]- 280.07777 160.5
[M]+ 259.10255 164.8
[M]- 259.10365 164.8
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.