CID 3063783

(+)-alpha,alpha-diphenyl-3-thiomorpholinemethanol hydrochloride

Structural Information

Molecular Formula
C17H17NO2S
SMILES
C1COC(C(=S)N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C17H17NO2S/c19-17(13-7-3-1-4-8-13,14-9-5-2-6-10-14)15-16(21)18-11-12-20-15/h1-10,15,19H,11-12H2,(H,18,21)
InChIKey
QZBGSNLZZRSCJD-UHFFFAOYSA-N
Compound name
2-[hydroxy(diphenyl)methyl]morpholine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.098 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10528 167.5
[M+Na]+ 322.08722 172.4
[M-H]- 298.09072 173.0
[M+NH4]+ 317.13182 178.4
[M+K]+ 338.06116 167.0
[M+H-H2O]+ 282.09526 159.6
[M+HCOO]- 344.09620 177.3
[M+CH3COO]- 358.11185 176.6
[M+Na-2H]- 320.07267 171.0
[M]+ 299.09745 162.5
[M]- 299.09855 162.5
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.