CID 3044872

57795-05-8

Structural Information

Molecular Formula
C14H16N2O3S
SMILES
C1COCCN1C(=S)N2CC(OC2=O)C3=CC=CC=C3
InChI
InChI=1S/C14H16N2O3S/c17-14-16(13(20)15-6-8-18-9-7-15)10-12(19-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKey
BPOOFNWXXHJICI-UHFFFAOYSA-N
Compound name
3-(morpholine-4-carbothioyl)-5-phenyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.08817 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09545 165.5
[M+Na]+ 315.07739 176.7
[M+NH4]+ 310.12199 172.8
[M+K]+ 331.05133 171.6
[M-H]- 291.08089 171.6
[M+Na-2H]- 313.06284 170.0
[M]+ 292.08762 169.1
[M]- 292.08872 169.1
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.