CID 6438243

Alpha-(beta-(2-thienyl)styryl)-4-morpholineethanol hydrochloride

Structural Information

Molecular Formula
C18H21NO2S
SMILES
C1COCCN1CC(/C=C(\C2=CC=CC=C2)/C3=CC=CS3)O
InChI
InChI=1S/C18H21NO2S/c20-16(14-19-8-10-21-11-9-19)13-17(18-7-4-12-22-18)15-5-2-1-3-6-15/h1-7,12-13,16,20H,8-11,14H2/b17-13+
InChIKey
XCVLAEKZEZYUHF-GHRIWEEISA-N
Compound name
(E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1293 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13658 173.0
[M+Na]+ 338.11852 183.8
[M+NH4]+ 333.16312 181.1
[M+K]+ 354.09246 177.1
[M-H]- 314.12202 178.7
[M+Na-2H]- 336.10397 179.5
[M]+ 315.12875 176.5
[M]- 315.12985 176.5
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.