CID 3006748

4-methoxy-2-(4-pyridyl)-2,3-dihydro-1,3-benzothiazole

Structural Information

Molecular Formula
C13H12N2OS
SMILES
COC1=C2C(=CC=C1)SC(N2)C3=CC=NC=C3
InChI
InChI=1S/C13H12N2OS/c1-16-10-3-2-4-11-12(10)15-13(17-11)9-5-7-14-8-6-9/h2-8,13,15H,1H3
InChIKey
BMAIPALECZKMOM-UHFFFAOYSA-N
Compound name
4-methoxy-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.06703 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07431 151.7
[M+Na]+ 267.05625 161.4
[M-H]- 243.05975 155.9
[M+NH4]+ 262.10085 169.5
[M+K]+ 283.03019 156.1
[M+H-H2O]+ 227.06429 144.6
[M+HCOO]- 289.06523 167.1
[M+CH3COO]- 303.08088 163.9
[M+Na-2H]- 265.04170 155.0
[M]+ 244.06648 152.7
[M]- 244.06758 152.7
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.