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]+ 261.105606 160.8
[M+Na]+ 283.087548 168.5
[M-H]- 259.091054 166.8
[M+NH4]+ 278.132153 178.6
[M+K]+ 299.061488 164.7
[M+H-H2O]+ 243.095590 153.8
[M+HCOO]- 305.096531 178.6
[M+CH3COO]- 319.112181 195.2
[M+Na-2H]- 281.072996 162.8
[M]+ 260.09778142 162.8
[M]- 260.09887858 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