CID 72000499

6-chloro-n-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyridine-3-carboxamide

Structural Information

Molecular Formula
C14H16ClN3OS
SMILES
CCC(C)(C1=NC(=CS1)C)NC(=O)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C14H16ClN3OS/c1-4-14(3,13-17-9(2)8-20-13)18-12(19)10-5-6-11(15)16-7-10/h5-8H,4H2,1-3H3,(H,18,19)
InChIKey
RLZQDGCOXJIIHZ-UHFFFAOYSA-N
Compound name
6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.07025 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.07753 171.3
[M+Na]+ 332.05947 180.3
[M-H]- 308.06297 176.2
[M+NH4]+ 327.10407 186.8
[M+K]+ 348.03341 174.7
[M+H-H2O]+ 292.06751 164.1
[M+HCOO]- 354.06845 183.0
[M+CH3COO]- 368.08410 203.4
[M+Na-2H]- 330.04492 172.1
[M]+ 309.06970 176.0
[M]- 309.07080 176.0
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.