CID 3007521

Chembl27249

Structural Information

Molecular Formula
C16H14N2OS
SMILES
C=C(C1=CC=CC=C1OCC2=CSC=C2)N3C=CN=C3
InChI
InChI=1S/C16H14N2OS/c1-13(18-8-7-17-12-18)15-4-2-3-5-16(15)19-10-14-6-9-20-11-14/h2-9,11-12H,1,10H2
InChIKey
GAMBBNDLDOGVKY-UHFFFAOYSA-N
Compound name
1-[1-[2-(thiophen-3-ylmethoxy)phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.08267 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08995 164.4
[M+Na]+ 305.07189 174.4
[M-H]- 281.07539 173.0
[M+NH4]+ 300.11649 181.8
[M+K]+ 321.04583 169.5
[M+H-H2O]+ 265.07993 156.4
[M+HCOO]- 327.08087 184.7
[M+CH3COO]- 341.09652 177.2
[M+Na-2H]- 303.05734 164.2
[M]+ 282.08212 168.9
[M]- 282.08322 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.