CID 2759006

4-(3-fluoro-4-methoxyphenyl)-2-thiazolamine

Structural Information

Molecular Formula
C10H9FN2OS
SMILES
COC1=C(C=C(C=C1)C2=CSC(=N2)N)F
InChI
InChI=1S/C10H9FN2OS/c1-14-9-3-2-6(4-7(9)11)8-5-15-10(12)13-8/h2-5H,1H3,(H2,12,13)
InChIKey
YNGDDNXKDDLUAK-UHFFFAOYSA-N
Compound name
4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

224.04196 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04924 143.8
[M+Na]+ 247.03118 154.6
[M-H]- 223.03468 148.8
[M+NH4]+ 242.07578 163.2
[M+K]+ 263.00512 150.3
[M+H-H2O]+ 207.03922 136.2
[M+HCOO]- 269.04016 163.5
[M+CH3COO]- 283.05581 188.6
[M+Na-2H]- 245.01663 145.1
[M]+ 224.04141 145.1
[M]- 224.04251 145.1
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

patents stripe