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 174.4
[M+Na]+ 338.11852 177.5
[M-H]- 314.12202 180.9
[M+NH4]+ 333.16312 186.9
[M+K]+ 354.09246 173.8
[M+H-H2O]+ 298.12656 166.4
[M+HCOO]- 360.12750 185.6
[M+CH3COO]- 374.14315 183.4
[M+Na-2H]- 336.10397 172.5
[M]+ 315.12875 171.4
[M]- 315.12985 171.4
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.