CID 3006728

2-ethyl-2-(2-pyridyl)-3h-1,3-benzothiazole

Structural Information

Molecular Formula
C14H14N2S
SMILES
CCC1(NC2=CC=CC=C2S1)C3=CC=CC=N3
InChI
InChI=1S/C14H14N2S/c1-2-14(13-9-5-6-10-15-13)16-11-7-3-4-8-12(11)17-14/h3-10,16H,2H2,1H3
InChIKey
UEQUNCNCSWJXQT-UHFFFAOYSA-N
Compound name
2-ethyl-2-pyridin-2-yl-3H-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.08777 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09505 152.7
[M+Na]+ 265.07699 162.2
[M-H]- 241.08049 156.7
[M+NH4]+ 260.12159 172.4
[M+K]+ 281.05093 156.4
[M+H-H2O]+ 225.08503 145.6
[M+HCOO]- 287.08597 167.6
[M+CH3COO]- 301.10162 164.7
[M+Na-2H]- 263.06244 157.2
[M]+ 242.08722 152.6
[M]- 242.08832 152.6
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.