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]+ 285.085616 160.8
[M+Na]+ 307.067558 169.9
[M-H]- 283.071064 168.6
[M+NH4]+ 302.112163 177.4
[M+K]+ 323.041498 163.4
[M+H-H2O]+ 267.075600 151.7
[M+HCOO]- 329.076541 180.6
[M+CH3COO]- 343.092191 173.0
[M+Na-2H]- 305.053006 163.3
[M]+ 284.07779142 161.0
[M]- 284.07888858 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

literature stripe

Patent stripe

No patent data available for this compound.