CID 854786

4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C12H14N2S
SMILES
CCC1=CC=C(C=C1)C2=C(SC(=N2)N)C
InChI
InChI=1S/C12H14N2S/c1-3-9-4-6-10(7-5-9)11-8(2)15-12(13)14-11/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKey
DXJYDMVDEAVIJL-UHFFFAOYSA-N
Compound name
4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

218.08777 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09505 147.1
[M+Na]+ 241.07699 157.2
[M-H]- 217.08049 153.2
[M+NH4]+ 236.12159 167.0
[M+K]+ 257.05093 152.5
[M+H-H2O]+ 201.08503 140.4
[M+HCOO]- 263.08597 167.0
[M+CH3COO]- 277.10162 160.6
[M+Na-2H]- 239.06244 147.9
[M]+ 218.08722 148.7
[M]- 218.08832 148.7
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