CID 329948

74630-73-2

Structural Information

Molecular Formula
C12H8N2OS
SMILES
C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C=O
InChI
InChI=1S/C12H8N2OS/c15-8-10-11(9-4-2-1-3-5-9)13-12-14(10)6-7-16-12/h1-8H
InChIKey
RRHHDLZBYCPJAW-UHFFFAOYSA-N
Compound name
6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

228.03574 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04302 147.6
[M+Na]+ 251.02496 160.8
[M-H]- 227.02846 154.7
[M+NH4]+ 246.06956 169.0
[M+K]+ 266.99890 156.3
[M+H-H2O]+ 211.03300 141.4
[M+HCOO]- 273.03394 168.8
[M+CH3COO]- 287.04959 162.4
[M+Na-2H]- 249.01041 150.5
[M]+ 228.03519 153.3
[M]- 228.03629 153.3
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