CID 9570898

Brn 4452921

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 185.5
[M+NH4]+ 319.18384 182.6
[M+K]+ 340.11318 176.7
[M-H]- 300.14274 178.8
[M+Na-2H]- 322.12469 180.6
[M]+ 301.14947 177.3
[M]- 301.15057 177.3
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.