CID 2759662

439094-67-4

Structural Information

Molecular Formula
C13H10N2O2S
SMILES
COC1=CC=CC(=C1)C2=C(N3C=CSC3=N2)C=O
InChI
InChI=1S/C13H10N2O2S/c1-17-10-4-2-3-9(7-10)12-11(8-16)15-5-6-18-13(15)14-12/h2-8H,1H3
InChIKey
XNIVWULZHPGWLV-UHFFFAOYSA-N
Compound name
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0463 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05358 156.0
[M+Na]+ 281.03552 170.3
[M+NH4]+ 276.08012 164.8
[M+K]+ 297.00946 164.6
[M-H]- 257.03902 159.2
[M+Na-2H]- 279.02097 162.9
[M]+ 258.04575 159.4
[M]- 258.04685 159.4
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.