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 166.6
[M+Na]+ 315.07739 172.5
[M-H]- 291.08089 174.5
[M+NH4]+ 310.12199 178.6
[M+K]+ 331.05133 171.1
[M+H-H2O]+ 275.08543 158.8
[M+HCOO]- 337.08637 177.2
[M+CH3COO]- 351.10202 177.0
[M+Na-2H]- 313.06284 165.2
[M]+ 292.08762 164.3
[M]- 292.08872 164.3
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.