CID 5272559

N-[(3-fluorophenyl)methyl]-4-thiazol-4-yl-benzamide

Structural Information

Molecular Formula
C17H13FN2OS
SMILES
C1=CC(=CC(=C1)F)CNC(=O)C2=CC=C(C=C2)C3=CSC=N3
InChI
InChI=1S/C17H13FN2OS/c18-15-3-1-2-12(8-15)9-19-17(21)14-6-4-13(5-7-14)16-10-22-11-20-16/h1-8,10-11H,9H2,(H,19,21)
InChIKey
XOOANFPGFXBOKO-UHFFFAOYSA-N
Compound name
N-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.07327 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08055 169.3
[M+Na]+ 335.06249 177.7
[M-H]- 311.06599 177.1
[M+NH4]+ 330.10709 184.5
[M+K]+ 351.03643 171.5
[M+H-H2O]+ 295.07053 160.0
[M+HCOO]- 357.07147 188.1
[M+CH3COO]- 371.08712 180.7
[M+Na-2H]- 333.04794 170.3
[M]+ 312.07272 169.8
[M]- 312.07382 169.8
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

No patent data available for this compound.