CID 53691024

2-(morpholin-3-yl)-1,3-benzothiazole hydrochloride

Structural Information

Molecular Formula
C11H12N2OS
SMILES
C1COCC(N1)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C11H12N2OS/c1-2-4-10-8(3-1)13-11(15-10)9-7-14-6-5-12-9/h1-4,9,12H,5-7H2
InChIKey
HTRYLKRMWMMOGW-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.06703 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 144.2
[M+Na]+ 243.05625 157.9
[M+NH4]+ 238.10085 154.0
[M+K]+ 259.03019 150.8
[M-H]- 219.05975 149.2
[M+Na-2H]- 241.04170 151.0
[M]+ 220.06648 148.1
[M]- 220.06758 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.