CID 5272558

N-benzyl-4-thiazol-4-yl-benzamide

Structural Information

Molecular Formula
C17H14N2OS
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)C3=CSC=N3
InChI
InChI=1S/C17H14N2OS/c20-17(18-10-13-4-2-1-3-5-13)15-8-6-14(7-9-15)16-11-21-12-19-16/h1-9,11-12H,10H2,(H,18,20)
InChIKey
FDAXJAPQISUNDL-UHFFFAOYSA-N
Compound name
N-benzyl-4-(1,3-thiazol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.08267 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08995 166.8
[M+Na]+ 317.07189 174.3
[M-H]- 293.07539 175.6
[M+NH4]+ 312.11649 182.5
[M+K]+ 333.04583 168.6
[M+H-H2O]+ 277.07993 158.3
[M+HCOO]- 339.08087 186.7
[M+CH3COO]- 353.09652 178.5
[M+Na-2H]- 315.05734 169.0
[M]+ 294.08212 167.9
[M]- 294.08322 167.9
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

No patent data available for this compound.