CID 121415

1227-98-1

Structural Information

Molecular Formula
C18H23NOS
SMILES
C1CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O
InChI
InChI=1S/C18H23NOS/c20-18(17-10-7-15-21-17,16-8-3-1-4-9-16)11-14-19-12-5-2-6-13-19/h1,3-4,7-10,15,20H,2,5-6,11-14H2
InChIKey
CPYHRIWPMHAXKI-UHFFFAOYSA-N
Compound name
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

301.15002 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15730 171.8
[M+Na]+ 324.13924 175.6
[M-H]- 300.14274 177.7
[M+NH4]+ 319.18384 186.5
[M+K]+ 340.11318 170.4
[M+H-H2O]+ 284.14728 163.9
[M+HCOO]- 346.14822 184.0
[M+CH3COO]- 360.16387 181.1
[M+Na-2H]- 322.12469 172.2
[M]+ 301.14947 168.4
[M]- 301.15057 168.4
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.