CID 3039254

42739-93-5

Structural Information

Molecular Formula
C19H25NOS
SMILES
CC(CN1CCCCC1)C(C2=CC=CC=C2)(C3=CC=CS3)O
InChI
InChI=1S/C19H25NOS/c1-16(15-20-12-6-3-7-13-20)19(21,18-11-8-14-22-18)17-9-4-2-5-10-17/h2,4-5,8-11,14,16,21H,3,6-7,12-13,15H2,1H3
InChIKey
JDWOTGMZVNQWIZ-UHFFFAOYSA-N
Compound name
2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.16568 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.172956 176.1
[M+Na]+ 338.154898 179.1
[M-H]- 314.158404 181.9
[M+NH4]+ 333.199503 190.2
[M+K]+ 354.128838 174.2
[M+H-H2O]+ 298.162940 168.2
[M+HCOO]- 360.163881 186.9
[M+CH3COO]- 374.179531 184.9
[M+Na-2H]- 336.140346 175.0
[M]+ 315.16513142 172.5
[M]- 315.16622858 172.5
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.