CID 9570898

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

Structural Information

Molecular Formula
C18H23NOS
SMILES
CCCCO/N=C(\C)/C1=CC=C(S1)C2=CC=C(C=C2)CC
InChI
InChI=1S/C18H23NOS/c1-4-6-13-20-19-14(3)17-11-12-18(21-17)16-9-7-15(5-2)8-10-16/h7-12H,4-6,13H2,1-3H3/b19-14+
InChIKey
AYUYUKSQEGIVAU-XMHGGMMESA-N
Compound name
(E)-N-butoxy-1-[5-(4-ethylphenyl)thiophen-2-yl]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.15002 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15730 173.7
[M+Na]+ 324.13924 180.5
[M-H]- 300.14274 181.8
[M+NH4]+ 319.18384 191.9
[M+K]+ 340.11318 176.2
[M+H-H2O]+ 284.14728 166.1
[M+HCOO]- 346.14822 194.4
[M+CH3COO]- 360.16387 208.6
[M+Na-2H]- 322.12469 172.5
[M]+ 301.14947 179.4
[M]- 301.15057 179.4
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.