CID 5272561

(4-benzyl-1-piperidyl)-(4-thiazol-4-ylphenyl)methanone

Structural Information

Molecular Formula
C22H22N2OS
SMILES
C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4=CSC=N4
InChI
InChI=1S/C22H22N2OS/c25-22(20-8-6-19(7-9-20)21-15-26-16-23-21)24-12-10-18(11-13-24)14-17-4-2-1-3-5-17/h1-9,15-16,18H,10-14H2
InChIKey
MNMRCMVLWHNUAG-UHFFFAOYSA-N
Compound name
(4-benzylpiperidin-1-yl)-[4-(1,3-thiazol-4-yl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1453 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15258 186.8
[M+Na]+ 385.13452 192.1
[M-H]- 361.13802 196.1
[M+NH4]+ 380.17912 198.0
[M+K]+ 401.10846 185.4
[M+H-H2O]+ 345.14256 176.4
[M+HCOO]- 407.14350 199.8
[M+CH3COO]- 421.15915 195.6
[M+Na-2H]- 383.11997 184.3
[M]+ 362.14475 184.1
[M]- 362.14585 184.1
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.