CID 6474308

2-(2-benzo[d]furan-2-ylvinyl)-1,3-thiazoline

Structural Information

Molecular Formula
C13H11NOS
SMILES
C1CSC(=N1)/C=C\C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C13H11NOS/c1-2-4-12-10(3-1)9-11(15-12)5-6-13-14-7-8-16-13/h1-6,9H,7-8H2/b6-5-
InChIKey
JPAPQMBEKNZKKY-WAYWQWQTSA-N
Compound name
2-[(Z)-2-(1-benzofuran-2-yl)ethenyl]-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.05614 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06342 148.7
[M+Na]+ 252.04536 159.8
[M-H]- 228.04886 156.9
[M+NH4]+ 247.08996 169.9
[M+K]+ 268.01930 156.5
[M+H-H2O]+ 212.05340 143.3
[M+HCOO]- 274.05434 168.7
[M+CH3COO]- 288.06999 163.1
[M+Na-2H]- 250.03081 151.6
[M]+ 229.05559 152.9
[M]- 229.05669 152.9
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.