CID 50989688

4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C13H13FN2S
SMILES
C1CC1C2=C(SC(=N2)N)CC3=CC=C(C=C3)F
InChI
InChI=1S/C13H13FN2S/c14-10-5-1-8(2-6-10)7-11-12(9-3-4-9)16-13(15)17-11/h1-2,5-6,9H,3-4,7H2,(H2,15,16)
InChIKey
CTRGQBRBYCWKMM-UHFFFAOYSA-N
Compound name
4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

248.07835 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08563 144.3
[M+Na]+ 271.06757 155.5
[M-H]- 247.07107 152.4
[M+NH4]+ 266.11217 157.9
[M+K]+ 287.04151 149.4
[M+H-H2O]+ 231.07561 136.4
[M+HCOO]- 293.07655 163.8
[M+CH3COO]- 307.09220 157.2
[M+Na-2H]- 269.05302 145.4
[M]+ 248.07780 146.4
[M]- 248.07890 146.4
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

patents stripe