CID 6447755

2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-4-thiazoleacetic acid

Structural Information

Molecular Formula
C16H17NO5S
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C16H17NO5S/c1-20-12-6-10(7-13(21-2)16(12)22-3)4-5-14-17-11(9-23-14)8-15(18)19/h4-7,9H,8H2,1-3H3,(H,18,19)/b5-4+
InChIKey
RGVOQBGKARQUBU-SNAWJCMRSA-N
Compound name
2-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.08273 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09001 178.4
[M+Na]+ 358.07195 189.2
[M+NH4]+ 353.11655 183.8
[M+K]+ 374.04589 183.8
[M-H]- 334.07545 179.2
[M+Na-2H]- 356.05740 182.0
[M]+ 335.08218 180.3
[M]- 335.08328 180.3
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.