CID 3048485

3-thiomorpholinone, 4,5-dimethyl-6-phenyl-

Structural Information

Molecular Formula
C12H13NO2S
SMILES
CC1C(OC(=O)C(=S)N1C)C2=CC=CC=C2
InChI
InChI=1S/C12H13NO2S/c1-8-10(9-6-4-3-5-7-9)15-12(14)11(16)13(8)2/h3-8,10H,1-2H3
InChIKey
AZQZQURTWYHNAH-UHFFFAOYSA-N
Compound name
4,5-dimethyl-6-phenyl-3-sulfanylidenemorpholin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.0667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.073976 149.7
[M+Na]+ 258.055918 158.7
[M-H]- 234.059424 156.2
[M+NH4]+ 253.100523 165.9
[M+K]+ 274.029858 155.8
[M+H-H2O]+ 218.063960 142.8
[M+HCOO]- 280.064901 164.1
[M+CH3COO]- 294.080551 190.5
[M+Na-2H]- 256.041366 150.9
[M]+ 235.06615142 150.2
[M]- 235.06724858 150.2
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.