CID 13738288

2-ethyl-2-methyl-4-phenyl-3-thiazoline

Structural Information

Molecular Formula
C12H15NS
SMILES
CCC1(N=C(CS1)C2=CC=CC=C2)C
InChI
InChI=1S/C12H15NS/c1-3-12(2)13-11(9-14-12)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKey
JILZPNZLKBLSDX-UHFFFAOYSA-N
Compound name
2-ethyl-2-methyl-4-phenyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.09251 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09979 143.8
[M+Na]+ 228.08173 152.9
[M-H]- 204.08523 149.7
[M+NH4]+ 223.12633 166.2
[M+K]+ 244.05567 149.4
[M+H-H2O]+ 188.08977 137.6
[M+HCOO]- 250.09071 162.1
[M+CH3COO]- 264.10636 157.4
[M+Na-2H]- 226.06718 146.7
[M]+ 205.09196 145.3
[M]- 205.09306 145.3
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.