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]+ 192.08415 140.1
[M+Na]+ 214.06609 148.9
[M-H]- 190.06959 146.0
[M+NH4]+ 209.11069 161.1
[M+K]+ 230.04003 145.4
[M+H-H2O]+ 174.07413 133.6
[M+HCOO]- 236.07507 158.7
[M+CH3COO]- 250.09072 153.8
[M+Na-2H]- 212.05154 142.2
[M]+ 191.07632 141.0
[M]- 191.07742 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.