CID 79206

2-(ethylthio)-4-phenylthiazole

Structural Information

Molecular Formula
C11H11NS2
SMILES
CCSC1=NC(=CS1)C2=CC=CC=C2
InChI
InChI=1S/C11H11NS2/c1-2-13-11-12-10(8-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey
KGLVHCYZWWKBRE-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-4-phenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

221.0333 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04058 144.1
[M+Na]+ 244.02252 154.5
[M-H]- 220.02602 150.2
[M+NH4]+ 239.06712 164.3
[M+K]+ 259.99646 149.4
[M+H-H2O]+ 204.03056 138.0
[M+HCOO]- 266.03150 158.7
[M+CH3COO]- 280.04715 157.5
[M+Na-2H]- 242.00797 144.8
[M]+ 221.03275 147.3
[M]- 221.03385 147.3
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