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]+ 316.17296 176.1
[M+Na]+ 338.15490 179.1
[M-H]- 314.15840 181.9
[M+NH4]+ 333.19950 190.2
[M+K]+ 354.12884 174.2
[M+H-H2O]+ 298.16294 168.2
[M+HCOO]- 360.16388 186.9
[M+CH3COO]- 374.17953 184.9
[M+Na-2H]- 336.14035 175.0
[M]+ 315.16513 172.5
[M]- 315.16623 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.