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

literature stripe

Patent stripe

patents stripe