CID 6447740

2-(2-(3-methoxy-4-(2-propenyloxy)phenyl)ethenyl)-4-thiazolecarboxylic acid

Structural Information

Molecular Formula
C16H15NO4S
SMILES
COC1=C(C=CC(=C1)/C=C/C2=NC(=CS2)C(=O)O)OCC=C
InChI
InChI=1S/C16H15NO4S/c1-3-8-21-13-6-4-11(9-14(13)20-2)5-7-15-17-12(10-22-15)16(18)19/h3-7,9-10H,1,8H2,2H3,(H,18,19)/b7-5+
InChIKey
BOCWELTWPFMQEX-FNORWQNLSA-N
Compound name
2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.07217 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07945 174.5
[M+Na]+ 340.06139 185.5
[M+NH4]+ 335.10599 180.3
[M+K]+ 356.03533 179.3
[M-H]- 316.06489 175.6
[M+Na-2H]- 338.04684 178.7
[M]+ 317.07162 176.6
[M]- 317.07272 176.6
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.