CID 5271976

5-phenyl-3-(1-piperidyl)isothiazole-4-carbonitrile

Structural Information

Molecular Formula
C15H15N3S
SMILES
C1CCN(CC1)C2=NSC(=C2C#N)C3=CC=CC=C3
InChI
InChI=1S/C15H15N3S/c16-11-13-14(12-7-3-1-4-8-12)19-17-15(13)18-9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey
QUZLNNSETLMOOW-UHFFFAOYSA-N
Compound name
5-phenyl-3-piperidin-1-yl-1,2-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.09866 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10594 164.0
[M+Na]+ 292.08788 173.8
[M-H]- 268.09138 169.2
[M+NH4]+ 287.13248 178.1
[M+K]+ 308.06182 166.8
[M+H-H2O]+ 252.09592 148.6
[M+HCOO]- 314.09686 175.3
[M+CH3COO]- 328.11251 173.5
[M+Na-2H]- 290.07333 163.6
[M]+ 269.09811 156.7
[M]- 269.09921 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.