CID 3006731

2,5-dimethyl-2-(2-pyridyl)-3h-1,3-benzothiazole

Structural Information

Molecular Formula
C14H14N2S
SMILES
CC1=CC2=C(C=C1)SC(N2)(C)C3=CC=CC=N3
InChI
InChI=1S/C14H14N2S/c1-10-6-7-12-11(9-10)16-14(2,17-12)13-5-3-4-8-15-13/h3-9,16H,1-2H3
InChIKey
LRLXKLZESQENAG-UHFFFAOYSA-N
Compound name
2,5-dimethyl-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

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09505 152.7
[M+Na]+ 265.07699 163.1
[M-H]- 241.08049 157.1
[M+NH4]+ 260.12159 172.7
[M+K]+ 281.05093 157.3
[M+H-H2O]+ 225.08503 145.9
[M+HCOO]- 287.08597 167.6
[M+CH3COO]- 301.10162 165.1
[M+Na-2H]- 263.06244 156.5
[M]+ 242.08722 153.0
[M]- 242.08832 153.0
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.