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]+ 278.084546 162.0
[M+Na]+ 300.066488 168.2
[M-H]- 276.069994 169.4
[M+NH4]+ 295.111093 175.9
[M+K]+ 316.040428 167.8
[M+H-H2O]+ 260.074530 155.9
[M+HCOO]- 322.075471 172.9
[M+CH3COO]- 336.091121 173.1
[M+Na-2H]- 298.051936 163.8
[M]+ 277.07672142 162.1
[M]- 277.07781858 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.