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]+ 284.073976 162.9
[M+Na]+ 306.055918 170.4
[M-H]- 282.059424 170.4
[M+NH4]+ 301.100523 177.3
[M+K]+ 322.029858 165.5
[M+H-H2O]+ 266.063960 154.8
[M+HCOO]- 328.064901 176.1
[M+CH3COO]- 342.080551 173.8
[M+Na-2H]- 304.041366 166.8
[M]+ 283.06615142 159.9
[M]- 283.06724858 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.