CID 6447518

Morpholine, 4-(3,4-methylenedioxythiocinnamoyl)-

Structural Information

Molecular Formula
C14H15NO3S
SMILES
C1COCCN1C(=S)/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C14H15NO3S/c19-14(15-5-7-16-8-6-15)4-2-11-1-3-12-13(9-11)18-10-17-12/h1-4,9H,5-8,10H2/b4-2+
InChIKey
XJKKZDFITWRRPE-DUXPYHPUSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-ene-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.07727 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08455 162.0
[M+Na]+ 300.06649 168.2
[M-H]- 276.06999 169.4
[M+NH4]+ 295.11109 175.9
[M+K]+ 316.04043 167.8
[M+H-H2O]+ 260.07453 155.9
[M+HCOO]- 322.07547 172.9
[M+CH3COO]- 336.09112 173.1
[M+Na-2H]- 298.05194 163.8
[M]+ 277.07672 162.1
[M]- 277.07782 162.1
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.