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 170.1
[M+Na]+ 325.09812 176.7
[M-H]- 301.10162 178.8
[M+NH4]+ 320.14272 184.3
[M+K]+ 341.07206 173.1
[M+H-H2O]+ 285.10616 162.4
[M+HCOO]- 347.10710 184.8
[M+CH3COO]- 361.12275 180.9
[M+Na-2H]- 323.08357 168.3
[M]+ 302.10835 168.5
[M]- 302.10945 168.5
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.