CID 16206231

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

Structural Information

Molecular Formula
C17H19NOS
SMILES
C1CSCC(N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C17H19NOS/c19-17(14-7-3-1-4-8-14,15-9-5-2-6-10-15)16-13-20-12-11-18-16/h1-10,16,18-19H,11-13H2
InChIKey
GPUDMEJGSKJMFR-UHFFFAOYSA-N
Compound name
diphenyl(thiomorpholin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11874 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12602 164.5
[M+Na]+ 308.10796 168.1
[M-H]- 284.11146 168.8
[M+NH4]+ 303.15256 177.0
[M+K]+ 324.08190 161.7
[M+H-H2O]+ 268.11600 156.4
[M+HCOO]- 330.11694 174.6
[M+CH3COO]- 344.13259 173.2
[M+Na-2H]- 306.09341 167.9
[M]+ 285.11819 157.8
[M]- 285.11929 157.8
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

patents stripe