CID 612716

4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C12H14N2S
SMILES
CC1=CC(=C(C(=C1)C)C2=CSC(=N2)N)C
InChI
InChI=1S/C12H14N2S/c1-7-4-8(2)11(9(3)5-7)10-6-15-12(13)14-10/h4-6H,1-3H3,(H2,13,14)
InChIKey
QKYORNXSXAOYPV-UHFFFAOYSA-N
Compound name
4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

58
Patents

218.08777 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09505 147.0
[M+Na]+ 241.07699 158.0
[M-H]- 217.08049 153.5
[M+NH4]+ 236.12159 167.2
[M+K]+ 257.05093 153.2
[M+H-H2O]+ 201.08503 140.6
[M+HCOO]- 263.08597 166.9
[M+CH3COO]- 277.10162 160.9
[M+Na-2H]- 239.06244 147.1
[M]+ 218.08722 149.1
[M]- 218.08832 149.1
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