CID 29068098

N-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C11H13FN2S
SMILES
C1CSC(=N1)NCCC2=CC=C(C=C2)F
InChI
InChI=1S/C11H13FN2S/c12-10-3-1-9(2-4-10)5-6-13-11-14-7-8-15-11/h1-4H,5-8H2,(H,13,14)
InChIKey
PNFVUYYMNPSJJG-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07835 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08563 147.5
[M+Na]+ 247.06757 158.4
[M+NH4]+ 242.11217 156.4
[M+K]+ 263.04151 150.8
[M-H]- 223.07107 150.5
[M+Na-2H]- 245.05302 154.5
[M]+ 224.07780 150.2
[M]- 224.07890 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.