CID 3060801

78280-47-4

Structural Information

Molecular Formula
C20H25NOS
SMILES
CC(CN1CCSCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H25NOS/c1-17(16-21-12-14-23-15-13-21)20(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,22H,12-16H2,1H3
InChIKey
QCEAOSYRNYDMPS-UHFFFAOYSA-N
Compound name
2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.16568 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.17296 177.4
[M+Na]+ 350.15490 179.7
[M-H]- 326.15840 182.5
[M+NH4]+ 345.19950 188.8
[M+K]+ 366.12884 174.0
[M+H-H2O]+ 310.16294 168.5
[M+HCOO]- 372.16388 186.9
[M+CH3COO]- 386.17953 185.3
[M+Na-2H]- 348.14035 178.6
[M]+ 327.16513 172.9
[M]- 327.16623 172.9
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.