CID 9570891

Brn 4498425

Structural Information

Molecular Formula
C20H26N2OS
SMILES
CC1=CC=C(C=C1)C2=CC=C(S2)/C(=N/OCCN3CCCCC3)/C
InChI
InChI=1S/C20H26N2OS/c1-16-6-8-18(9-7-16)20-11-10-19(24-20)17(2)21-23-15-14-22-12-4-3-5-13-22/h6-11H,3-5,12-15H2,1-2H3/b21-17+
InChIKey
RNIXAMRWQVBDRD-HEHNFIMWSA-N
Compound name
(E)-1-[5-(4-methylphenyl)thiophen-2-yl]-N-(2-piperidin-1-ylethoxy)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.17657 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18385 183.3
[M+Na]+ 365.16579 187.5
[M-H]- 341.16929 192.0
[M+NH4]+ 360.21039 197.7
[M+K]+ 381.13973 182.7
[M+H-H2O]+ 325.17383 174.0
[M+HCOO]- 387.17477 199.3
[M+CH3COO]- 401.19042 213.9
[M+Na-2H]- 363.15124 180.8
[M]+ 342.17602 183.3
[M]- 342.17712 183.3
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.