CID 28287675

2-(4-methoxyphenoxymethyl)-1,3-thiazole-4-carbaldehyde

Structural Information

Molecular Formula
C12H11NO3S
SMILES
COC1=CC=C(C=C1)OCC2=NC(=CS2)C=O
InChI
InChI=1S/C12H11NO3S/c1-15-10-2-4-11(5-3-10)16-7-12-13-9(6-14)8-17-12/h2-6,8H,7H2,1H3
InChIKey
FXJNQQGULPMGRN-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenoxy)methyl]-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.04596 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05324 152.9
[M+Na]+ 272.03518 162.7
[M-H]- 248.03868 159.2
[M+NH4]+ 267.07978 171.4
[M+K]+ 288.00912 159.6
[M+H-H2O]+ 232.04322 145.8
[M+HCOO]- 294.04416 173.3
[M+CH3COO]- 308.05981 189.8
[M+Na-2H]- 270.02063 155.0
[M]+ 249.04541 159.3
[M]- 249.04651 159.3
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.