CID 3038066

3-thiomorpholinone, 2,2-diphenyl-

Structural Information

Molecular Formula
C16H13NO2S
SMILES
C1C(=O)NC(=S)C(O1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO2S/c18-14-11-19-16(15(20)17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,18,20)
InChIKey
IHOJXQMMANARFO-UHFFFAOYSA-N
Compound name
6,6-diphenyl-5-sulfanylidenemorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07398 162.9
[M+Na]+ 306.05592 170.4
[M-H]- 282.05942 170.4
[M+NH4]+ 301.10052 177.3
[M+K]+ 322.02986 165.5
[M+H-H2O]+ 266.06396 154.8
[M+HCOO]- 328.06490 176.1
[M+CH3COO]- 342.08055 173.8
[M+Na-2H]- 304.04137 166.8
[M]+ 283.06615 159.9
[M]- 283.06725 159.9
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.