CID 3048485

63906-74-1

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]+ 236.07398 151.6
[M+Na]+ 258.05592 165.5
[M+NH4]+ 253.10052 160.2
[M+K]+ 274.02986 156.9
[M-H]- 234.05942 156.6
[M+Na-2H]- 256.04137 157.4
[M]+ 235.06615 155.5
[M]- 235.06725 155.5
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.