CID 3078857

2-thiophenecarboxamide, n-(2,5-dimethyl-1-(2-phenylethyl)-4-piperidinyl)-n-phenyl-

Structural Information

Molecular Formula
C26H30N2OS
SMILES
CC1CC(C(CN1CCC2=CC=CC=C2)C)N(C3=CC=CC=C3)C(=O)C4=CC=CS4
InChI
InChI=1S/C26H30N2OS/c1-20-19-27(16-15-22-10-5-3-6-11-22)21(2)18-24(20)28(23-12-7-4-8-13-23)26(29)25-14-9-17-30-25/h3-14,17,20-21,24H,15-16,18-19H2,1-2H3
InChIKey
YZAIOGGKQASFQU-UHFFFAOYSA-N
Compound name
N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2079 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.21518 201.7
[M+Na]+ 441.19712 214.8
[M+NH4]+ 436.24172 210.5
[M+K]+ 457.17106 205.4
[M-H]- 417.20062 210.6
[M+Na-2H]- 439.18257 211.6
[M]+ 418.20735 206.7
[M]- 418.20845 206.7
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.