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 155.6
[M+Na]+ 281.03552 168.8
[M-H]- 257.03902 162.8
[M+NH4]+ 276.08012 175.9
[M+K]+ 297.00946 164.6
[M+H-H2O]+ 241.04356 149.3
[M+HCOO]- 303.04450 176.5
[M+CH3COO]- 317.06015 170.0
[M+Na-2H]- 279.02097 157.5
[M]+ 258.04575 163.3
[M]- 258.04685 163.3
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.