CID 1796522

21344-73-0

Structural Information

Molecular Formula
C12H12N2S
SMILES
C=CCNC1=NC(=CS1)C2=CC=CC=C2
InChI
InChI=1S/C12H12N2S/c1-2-8-13-12-14-11(9-15-12)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,13,14)
InChIKey
FREHXEYAZAQJFE-UHFFFAOYSA-N
Compound name
4-phenyl-N-prop-2-enyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

216.07211 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07939 146.1
[M+Na]+ 239.06133 154.8
[M-H]- 215.06483 152.0
[M+NH4]+ 234.10593 165.6
[M+K]+ 255.03527 149.8
[M+H-H2O]+ 199.06937 138.9
[M+HCOO]- 261.07031 166.9
[M+CH3COO]- 275.08596 159.2
[M+Na-2H]- 237.04678 149.3
[M]+ 216.07156 147.2
[M]- 216.07266 147.2
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.