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

93
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 150.9
[M+Na]+ 260.05044 162.0
[M-H]- 236.05394 158.1
[M+NH4]+ 255.09504 171.1
[M+K]+ 276.02438 155.7
[M+H-H2O]+ 220.05848 144.0
[M+HCOO]- 282.05942 171.3
[M+CH3COO]- 296.07507 164.6
[M+Na-2H]- 258.03589 156.0
[M]+ 237.06067 154.1
[M]- 237.06177 154.1
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

patents stripe