CID 677720

4-tert-butyl-n-(1,3-thiazol-2-yl)benzamide

Structural Information

Molecular Formula
C14H16N2OS
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC=CS2
InChI
InChI=1S/C14H16N2OS/c1-14(2,3)11-6-4-10(5-7-11)12(17)16-13-15-8-9-18-13/h4-9H,1-3H3,(H,15,16,17)
InChIKey
ZJAQBIMUSPDQDL-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.09833 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10561 160.9
[M+Na]+ 283.08755 172.0
[M+NH4]+ 278.13215 169.0
[M+K]+ 299.06149 165.8
[M-H]- 259.09105 164.1
[M+Na-2H]- 281.07300 168.0
[M]+ 260.09778 163.8
[M]- 260.09888 163.8
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

patents stripe