CID 874716

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

Structural Information

Molecular Formula
C12H14N2S
SMILES
CCCC1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C12H14N2S/c1-2-3-9-4-6-10(7-5-9)11-8-15-12(13)14-11/h4-8H,2-3H2,1H3,(H2,13,14)
InChIKey
MWWKFIPFFAXPGN-UHFFFAOYSA-N
Compound name
4-(4-propylphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

218.08777 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09505 147.0
[M+Na]+ 241.07699 156.3
[M-H]- 217.08049 152.8
[M+NH4]+ 236.12159 166.6
[M+K]+ 257.05093 151.6
[M+H-H2O]+ 201.08503 140.1
[M+HCOO]- 263.08597 167.0
[M+CH3COO]- 277.10162 160.2
[M+Na-2H]- 239.06244 148.5
[M]+ 218.08722 148.3
[M]- 218.08832 148.3
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