CID 102581

1227-99-2

Structural Information

Molecular Formula
C17H21NO2S
SMILES
C1COCCN1C(CCO)(C2=CC=CC=C2)C3=CC=CS3
InChI
InChI=1S/C17H21NO2S/c19-11-8-17(16-7-4-14-21-16,15-5-2-1-3-6-15)18-9-12-20-13-10-18/h1-7,14,19H,8-13H2
InChIKey
KSDLQUXUZHPAGK-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-3-phenyl-3-thiophen-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1293 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.136576 169.9
[M+Na]+ 326.118518 174.2
[M-H]- 302.122024 176.6
[M+NH4]+ 321.163123 183.2
[M+K]+ 342.092458 170.7
[M+H-H2O]+ 286.126560 162.3
[M+HCOO]- 348.127501 181.9
[M+CH3COO]- 362.143151 179.7
[M+Na-2H]- 324.103966 171.6
[M]+ 303.12875142 168.0
[M]- 303.12984858 168.0
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.