CID 1078636

N-benzyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C16H13FN2S
SMILES
C1=CC=C(C=C1)CNC2=NC(=CS2)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H13FN2S/c17-14-8-6-13(7-9-14)15-11-20-16(19-15)18-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19)
InChIKey
BAQWPVJOMKGWEF-UHFFFAOYSA-N
Compound name
N-benzyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07834 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08562 160.8
[M+Na]+ 307.06756 169.9
[M-H]- 283.07106 168.6
[M+NH4]+ 302.11216 177.4
[M+K]+ 323.04150 163.4
[M+H-H2O]+ 267.07560 151.7
[M+HCOO]- 329.07654 180.6
[M+CH3COO]- 343.09219 173.0
[M+Na-2H]- 305.05301 163.3
[M]+ 284.07779 161.0
[M]- 284.07889 161.0
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.