CID 3006719

Benzothiazole, 2,3-dihydro-2-(4-pyridinyl)-

Structural Information

Molecular Formula
C12H10N2S
SMILES
C1=CC=C2C(=C1)NC(S2)C3=CC=NC=C3
InChI
InChI=1S/C12H10N2S/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-8,12,14H
InChIKey
HOJCSMGFSWKLAV-UHFFFAOYSA-N
Compound name
2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.05647 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06375 143.4
[M+Na]+ 237.04569 152.9
[M-H]- 213.04919 147.4
[M+NH4]+ 232.09029 162.2
[M+K]+ 253.01963 147.3
[M+H-H2O]+ 197.05373 136.4
[M+HCOO]- 259.05467 159.0
[M+CH3COO]- 273.07032 155.9
[M+Na-2H]- 235.03114 147.8
[M]+ 214.05592 142.2
[M]- 214.05702 142.2
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.