CID 6474281

4-(2-(1,3-thiazolin-2-yl)vinyl)-1,2-dimethoxybenzene

Structural Information

Molecular Formula
C13H15NO2S
SMILES
COC1=C(C=C(C=C1)/C=C\C2=NCCS2)OC
InChI
InChI=1S/C13H15NO2S/c1-15-11-5-3-10(9-12(11)16-2)4-6-13-14-7-8-17-13/h3-6,9H,7-8H2,1-2H3/b6-4-
InChIKey
KVWBDECQMUUAJH-XQRVVYSFSA-N
Compound name
2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.08235 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08963 155.6
[M+Na]+ 272.07157 164.3
[M-H]- 248.07507 161.4
[M+NH4]+ 267.11617 174.3
[M+K]+ 288.04551 160.6
[M+H-H2O]+ 232.07961 148.6
[M+HCOO]- 294.08055 174.1
[M+CH3COO]- 308.09620 190.4
[M+Na-2H]- 270.05702 156.1
[M]+ 249.08180 159.5
[M]- 249.08290 159.5
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.