CID 842835

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

Structural Information

Molecular Formula
C13H16N2S
SMILES
CCCC1=CC=C(C=C1)C2=C(SC(=N2)N)C
InChI
InChI=1S/C13H16N2S/c1-3-4-10-5-7-11(8-6-10)12-9(2)16-13(14)15-12/h5-8H,3-4H2,1-2H3,(H2,14,15)
InChIKey
FARHNGNYUDSWBE-UHFFFAOYSA-N
Compound name
5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.10342 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11070 151.5
[M+Na]+ 255.09264 161.2
[M-H]- 231.09614 157.5
[M+NH4]+ 250.13724 170.8
[M+K]+ 271.06658 156.2
[M+H-H2O]+ 215.10068 144.6
[M+HCOO]- 277.10162 171.1
[M+CH3COO]- 291.11727 192.9
[M+Na-2H]- 253.07809 151.8
[M]+ 232.10287 153.5
[M]- 232.10397 153.5
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.