CID 119032006

2-chloro-n-{4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl}acetamide hydrochloride

Structural Information

Molecular Formula
C12H18ClN3OS
SMILES
CC1CCN(CC1)CC2=CSC(=N2)NC(=O)CCl
InChI
InChI=1S/C12H18ClN3OS/c1-9-2-4-16(5-3-9)7-10-8-18-12(14-10)15-11(17)6-13/h8-9H,2-7H2,1H3,(H,14,15,17)
InChIKey
MQMMGJSKUKSQBX-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0859 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09318 165.1
[M+Na]+ 310.07512 171.5
[M-H]- 286.07862 168.7
[M+NH4]+ 305.11972 181.1
[M+K]+ 326.04906 166.7
[M+H-H2O]+ 270.08316 157.7
[M+HCOO]- 332.08410 174.8
[M+CH3COO]- 346.09975 198.2
[M+Na-2H]- 308.06057 163.2
[M]+ 287.08535 165.4
[M]- 287.08645 165.4
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.