CID 2113368

2803861-75-6

Structural Information

Molecular Formula
C13H16N2S
SMILES
CC1=CC(=C(C=C1C)C2=C(SC(=N2)N)C)C
InChI
InChI=1S/C13H16N2S/c1-7-5-9(3)11(6-8(7)2)12-10(4)16-13(14)15-12/h5-6H,1-4H3,(H2,14,15)
InChIKey
OXFISNMEGPNATE-UHFFFAOYSA-N
Compound name
5-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.10342 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.110696 151.3
[M+Na]+ 255.092638 162.6
[M-H]- 231.096144 158.0
[M+NH4]+ 250.137243 171.1
[M+K]+ 271.066578 157.7
[M+H-H2O]+ 215.100680 144.9
[M+HCOO]- 277.101621 170.7
[M+CH3COO]- 291.117271 195.2
[M+Na-2H]- 253.078086 150.2
[M]+ 232.10287142 154.1
[M]- 232.10396858 154.1
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

No patent data available for this compound.