CID 3042319

2-(4-isobutylphenyl)-n-(2-thiazolyl)propionamide

Structural Information

Molecular Formula
C16H20N2OS
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC2=NC=CS2
InChI
InChI=1S/C16H20N2OS/c1-11(2)10-13-4-6-14(7-5-13)12(3)15(19)18-16-17-8-9-20-16/h4-9,11-12H,10H2,1-3H3,(H,17,18,19)
InChIKey
XXHYVCJVOSWFIG-UHFFFAOYSA-N
Compound name
2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

288.12964 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13692 169.2
[M+Na]+ 311.11886 174.9
[M-H]- 287.12236 174.7
[M+NH4]+ 306.16346 185.5
[M+K]+ 327.09280 171.2
[M+H-H2O]+ 271.12690 161.4
[M+HCOO]- 333.12784 185.7
[M+CH3COO]- 347.14349 203.2
[M+Na-2H]- 309.10431 167.2
[M]+ 288.12909 171.3
[M]- 288.13019 171.3
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

No patent data available for this compound.