CID 56843593

4-(3-(4-imidazolyl)thioacryloyl)morpholine

Structural Information

Molecular Formula
C10H13N3O2S
SMILES
C1COCCN1C(=O)/C=C/SC2=CN=CN2
InChI
InChI=1S/C10H13N3O2S/c14-10(13-2-4-15-5-3-13)1-6-16-9-7-11-8-12-9/h1,6-8H,2-5H2,(H,11,12)/b6-1+
InChIKey
XKLKQHTXZGUQTG-LZCJLJQNSA-N
Compound name
(E)-3-(1H-imidazol-5-ylsulfanyl)-1-morpholin-4-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.07285 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.080126 153.1
[M+Na]+ 262.062068 159.0
[M-H]- 238.065574 154.4
[M+NH4]+ 257.106673 166.5
[M+K]+ 278.036008 156.3
[M+H-H2O]+ 222.070110 145.0
[M+HCOO]- 284.071051 164.0
[M+CH3COO]- 298.086701 182.4
[M+Na-2H]- 260.047516 153.3
[M]+ 239.07230142 150.5
[M]- 239.07339858 150.5
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.