CID 2120324

749920-71-6

Structural Information

Molecular Formula
C16H18N2O2S
SMILES
CC1=C(SC(=C1C(=O)N2CCOCC2)N)C3=CC=CC=C3
InChI
InChI=1S/C16H18N2O2S/c1-11-13(16(19)18-7-9-20-10-8-18)15(17)21-14(11)12-5-3-2-4-6-12/h2-6H,7-10,17H2,1H3
InChIKey
CEZSXQKFAJPXBR-UHFFFAOYSA-N
Compound name
(2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

302.1089 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11618 169.0
[M+Na]+ 325.09812 180.7
[M+NH4]+ 320.14272 177.3
[M+K]+ 341.07206 174.5
[M-H]- 301.10162 175.8
[M+Na-2H]- 323.08357 175.5
[M]+ 302.10835 173.0
[M]- 302.10945 173.0
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

No patent data available for this compound.