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 160.8
[M+Na]+ 283.08755 168.5
[M-H]- 259.09105 166.8
[M+NH4]+ 278.13215 178.6
[M+K]+ 299.06149 164.7
[M+H-H2O]+ 243.09559 153.8
[M+HCOO]- 305.09653 178.6
[M+CH3COO]- 319.11218 195.2
[M+Na-2H]- 281.07300 162.8
[M]+ 260.09778 162.8
[M]- 260.09888 162.8
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