CID 3021512

4-piperidinol, 4-(4-chlorophenyl)-1-(2-(4-methyl-5-thiazolyl)ethyl)-

Structural Information

Molecular Formula
C17H21ClN2OS
SMILES
CC1=C(SC=N1)CCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C17H21ClN2OS/c1-13-16(22-12-19-13)6-9-20-10-7-17(21,8-11-20)14-2-4-15(18)5-3-14/h2-5,12,21H,6-11H2,1H3
InChIKey
RXFMDWBBABCMIP-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.10632 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11360 176.3
[M+Na]+ 359.09554 184.3
[M-H]- 335.09904 181.9
[M+NH4]+ 354.14014 191.9
[M+K]+ 375.06948 177.5
[M+H-H2O]+ 319.10358 168.6
[M+HCOO]- 381.10452 184.4
[M+CH3COO]- 395.12017 186.2
[M+Na-2H]- 357.08099 175.0
[M]+ 336.10577 177.0
[M]- 336.10687 177.0
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.