CID 147560

5-ethyl-4-phenyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C11H12N2S
SMILES
CCC1=C(N=C(S1)N)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2S/c1-2-9-10(13-11(12)14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,13)
InChIKey
JPFFDVPXYBZEPP-UHFFFAOYSA-N
Compound name
5-ethyl-4-phenyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

56
Patents

204.07211 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07939 142.6
[M+Na]+ 227.06133 152.3
[M-H]- 203.06483 148.6
[M+NH4]+ 222.10593 162.7
[M+K]+ 243.03527 147.8
[M+H-H2O]+ 187.06937 135.9
[M+HCOO]- 249.07031 162.9
[M+CH3COO]- 263.08596 156.3
[M+Na-2H]- 225.04678 144.6
[M]+ 204.07156 143.5
[M]- 204.07266 143.5
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