CID 355894

N-(1-methyl-2-(1-piperidinyl)ethyl)-4-phenyl-5-thiazolecarboxamide hydrochloride

Structural Information

Molecular Formula
C18H23N3OS
SMILES
CC(CN1CCCCC1)NC(=O)C2=C(N=CS2)C3=CC=CC=C3
InChI
InChI=1S/C18H23N3OS/c1-14(12-21-10-6-3-7-11-21)20-18(22)17-16(19-13-23-17)15-8-4-2-5-9-15/h2,4-5,8-9,13-14H,3,6-7,10-12H2,1H3,(H,20,22)
InChIKey
UBUZGZJAMIFYKM-UHFFFAOYSA-N
Compound name
4-phenyl-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1562 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.16348 177.6
[M+Na]+ 352.14542 181.0
[M-H]- 328.14892 183.7
[M+NH4]+ 347.19002 190.1
[M+K]+ 368.11936 176.3
[M+H-H2O]+ 312.15346 168.1
[M+HCOO]- 374.15440 190.5
[M+CH3COO]- 388.17005 186.3
[M+Na-2H]- 350.13087 175.5
[M]+ 329.15565 174.7
[M]- 329.15675 174.7
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.