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]+ 250.053236 152.9
[M+Na]+ 272.035178 162.7
[M-H]- 248.038684 159.2
[M+NH4]+ 267.079783 171.4
[M+K]+ 288.009118 159.6
[M+H-H2O]+ 232.043220 145.8
[M+HCOO]- 294.044161 173.3
[M+CH3COO]- 308.059811 189.8
[M+Na-2H]- 270.020626 155.0
[M]+ 249.04541142 159.3
[M]- 249.04650858 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.