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]+ 240.08013 153.1
[M+Na]+ 262.06207 159.0
[M-H]- 238.06557 154.4
[M+NH4]+ 257.10667 166.5
[M+K]+ 278.03601 156.3
[M+H-H2O]+ 222.07011 145.0
[M+HCOO]- 284.07105 164.0
[M+CH3COO]- 298.08670 182.4
[M+Na-2H]- 260.04752 153.3
[M]+ 239.07230 150.5
[M]- 239.07340 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.