CID 6435626

1-phenyl-4-piperidino-1-(2-thienyl)-3-buten-2-one hydrochloride

Structural Information

Molecular Formula
C19H21NOS
SMILES
C1CCN(CC1)/C=C/C(=O)C(C2=CC=CC=C2)C3=CC=CS3
InChI
InChI=1S/C19H21NOS/c21-17(11-14-20-12-5-2-6-13-20)19(18-10-7-15-22-18)16-8-3-1-4-9-16/h1,3-4,7-11,14-15,19H,2,5-6,12-13H2/b14-11+
InChIKey
OLLIUVCSCAYVEA-SDNWHVSQSA-N
Compound name
(E)-1-phenyl-4-piperidin-1-yl-1-thiophen-2-ylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1344 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14168 175.7
[M+Na]+ 334.12362 179.0
[M-H]- 310.12712 182.7
[M+NH4]+ 329.16822 190.2
[M+K]+ 350.09756 173.7
[M+H-H2O]+ 294.13166 167.0
[M+HCOO]- 356.13260 188.7
[M+CH3COO]- 370.14825 184.9
[M+Na-2H]- 332.10907 172.7
[M]+ 311.13385 172.2
[M]- 311.13495 172.2
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.