CID 5327096

N-(5-isopropyl-thiazol-2-yl)-2-pyridin-3-yl-acetamide

Structural Information

Molecular Formula
C13H15N3OS
SMILES
CC(C)C1=CN=C(S1)NC(=O)CC2=CN=CC=C2
InChI
InChI=1S/C13H15N3OS/c1-9(2)11-8-15-13(18-11)16-12(17)6-10-4-3-5-14-7-10/h3-5,7-9H,6H2,1-2H3,(H,15,16,17)
InChIKey
WQZOOPQQADNJEG-UHFFFAOYSA-N
Compound name
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

261.0936 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10088 159.1
[M+Na]+ 284.08282 166.5
[M-H]- 260.08632 163.7
[M+NH4]+ 279.12742 175.2
[M+K]+ 300.05676 162.8
[M+H-H2O]+ 244.09086 151.0
[M+HCOO]- 306.09180 176.5
[M+CH3COO]- 320.10745 196.1
[M+Na-2H]- 282.06827 159.7
[M]+ 261.09305 161.2
[M]- 261.09415 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe