CID 3050568

66692-87-3

Structural Information

Molecular Formula
C11H13NS
SMILES
CCC1N=C(CS1)C2=CC=CC=C2
InChI
InChI=1S/C11H13NS/c1-2-11-12-10(8-13-11)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3
InChIKey
JRXFVLUCHMVXKI-UHFFFAOYSA-N
Compound name
2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.07687 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.084146 140.1
[M+Na]+ 214.066088 148.9
[M-H]- 190.069594 146.0
[M+NH4]+ 209.110693 161.1
[M+K]+ 230.040028 145.4
[M+H-H2O]+ 174.074130 133.6
[M+HCOO]- 236.075071 158.7
[M+CH3COO]- 250.090721 153.8
[M+Na-2H]- 212.051536 142.2
[M]+ 191.07632142 141.0
[M]- 191.07741858 141.0
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.