CID 6104260

2-styrylbenzothiazole

Structural Information

Molecular Formula
C15H11NS
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C15H11NS/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-11H/b11-10+
InChIKey
LCIISWPXOZNVIG-ZHACJKMWSA-N
Compound name
2-[(E)-2-phenylethenyl]-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

80
Patents

237.06122 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06850 150.6
[M+Na]+ 260.05044 167.1
[M+NH4]+ 255.09504 161.5
[M+K]+ 276.02438 156.9
[M-H]- 236.05394 156.4
[M+Na-2H]- 258.03589 161.0
[M]+ 237.06067 155.4
[M]- 237.06177 155.4
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.