CID 2725328

N-phenethylmorpholine-4-carbothioamide

Structural Information

Molecular Formula
C13H18N2OS
SMILES
C1COCCN1C(=S)NCCC2=CC=CC=C2
InChI
InChI=1S/C13H18N2OS/c17-13(15-8-10-16-11-9-15)14-7-6-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,14,17)
InChIKey
ONOMMUGEFFQYSU-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)morpholine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

250.11398 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12126 156.7
[M+Na]+ 273.10320 160.5
[M-H]- 249.10670 161.4
[M+NH4]+ 268.14780 170.9
[M+K]+ 289.07714 157.7
[M+H-H2O]+ 233.11124 148.5
[M+HCOO]- 295.11218 170.4
[M+CH3COO]- 309.12783 192.0
[M+Na-2H]- 271.08865 159.5
[M]+ 250.11343 153.7
[M]- 250.11453 153.7
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.