CID 842777

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3754
Patents

218.08777 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.095046 147.0
[M+Na]+ 241.076988 158.0
[M-H]- 217.080494 153.5
[M+NH4]+ 236.121593 167.2
[M+K]+ 257.050928 153.2
[M+H-H2O]+ 201.085030 140.6
[M+HCOO]- 263.085971 166.9
[M+CH3COO]- 277.101621 160.9
[M+Na-2H]- 239.062436 147.1
[M]+ 218.08722142 149.1
[M]- 218.08831858 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

No literature data available for this compound.

Patent stripe

patents stripe