CID 92387

71868-10-5

Structural Information

Molecular Formula
C15H21NO2S
SMILES
CC(C)(C(=O)C1=CC=C(C=C1)SC)N2CCOCC2
InChI
InChI=1S/C15H21NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3
InChIKey
LWRBVKNFOYUCNP-UHFFFAOYSA-N
Compound name
2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

97585
Patents

279.1293 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13658 165.0
[M+Na]+ 302.11852 176.3
[M+NH4]+ 297.16312 172.9
[M+K]+ 318.09246 168.8
[M-H]- 278.12202 169.1
[M+Na-2H]- 300.10397 170.6
[M]+ 279.12875 168.3
[M]- 279.12985 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe